SCHEMBL439752

SCHEMBL439752

CC(C)CCCn1cccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
FDPS P14324 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
TSHR P16473 1/20 0.36
DAO P14920 1/20 0.36
NOS1 P29475 1/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KCNA3 P22001 1/20 0.33
KCNA5 P22460 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL438475 0.94 L3MBTL1 (0.48) L3MBTL1LMNAPSEN1PSEN2APH1B
SCHEMBL278529 0.88 L3MBTL1 (0.48) L3MBTL1LMNAFDPSKDM4ETSHR
SCHEMBL11018422 0.85 L3MBTL1 (0.41) L3MBTL1LMNAPSEN1PSEN2APH1B
SCHEMBL3518996 0.85 L3MBTL1 (0.41) L3MBTL1LMNAPSEN1PSEN2APH1B
SCHEMBL11959515 0.85 L3MBTL1 (0.41) L3MBTL1LMNAPSEN1PSEN2APH1B
SCHEMBL19292061 0.85 L3MBTL1 (0.41) L3MBTL1LMNAPSEN1PSEN2APH1B
SCHEMBL6571553 0.83 L3MBTL1 (0.40) L3MBTL1LMNAPSEN1PSEN2APH1B
SCHEMBL28543619 0.82 L3MBTL1 (0.40) L3MBTL1LMNAPSEN1PSEN2APH1B
SCHEMBL7100687 0.80 DAO (0.43) L3MBTL1FDPSTLR8TLR7TSHR
SCHEMBL11025324 0.79 L3MBTL1 (0.41) L3MBTL1LMNAPSEN1PSEN2APH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183168-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors INCYTE CORPORATION (US) 2021-04-13 US disclosed
EP-3087051-B1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC (US) 2020-07-15 EP disclosed
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
US-10208032-B2 Benzamide and nicotinamide compounds and methods of using same ONCOTARTIS INC. (US) 2019-02-19 US disclosed
US-20190031658-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC. 2019-01-31 US disclosed
US-20180154332-A1 HIGH PURITY CHROMATOGRAPHIC MATERIALS COMPRISING ION PAIRED-BONDED PHASES FOR SUPERCRITICAL FLUID CHROMATOGRAPHY WATERS TECHNOLOGIES CORPORATION 2018-06-07 US disclosed
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2018-01-11 US disclosed
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP L3MBTL1 4527/4885LMNA 3556/4885PSEN1 2073/4885
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 L3MBTL1 2411/4885LMNA 1572/4885PSEN1 3454/4885
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA L3MBTL1 3805/4885LMNA 3733/4885PSEN1 687/4885
US-20230183168-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF SLC10A1, PYGL, FABP1 L3MBTL1 544/4885LMNA 483/4885PSEN1 217/4885
US-10208032-B2 Benzamide and nicotinamide compounds and methods of using same NAMPT, NNT, NADK L3MBTL1 2221/4885LMNA 803/4885PSEN1 3769/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP L3MBTL1 4527/4885LMNA 3556/4885PSEN1 2073/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 L3MBTL1 1916/4885LMNA 1804/4885PSEN1 264/4885
US-10975088-B2 Imidazo[2,1-f][1,2,4]triazine compounds as pi3k-y inhibitors PIK3R5, PIK3CD, PIK3CA L3MBTL1 3780/4885LMNA 4356/4885PSEN1 1519/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD L3MBTL1 4442/4885LMNA 3480/4885PSEN1 1330/4885
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD L3MBTL1 4442/4885LMNA 3480/4885PSEN1 1330/4885
US-20190031658-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME NNT, NAMPT, NNMT L3MBTL1 1839/4885LMNA 539/4885PSEN1 4049/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 L3MBTL1 818/4885LMNA 3287/4885PSEN1 3786/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 L3MBTL1 3978/4885LMNA 4496/4885PSEN1 2417/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 L3MBTL1 3306/4885LMNA 4130/4885PSEN1 314/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.