SCHEMBL773401

SCHEMBL773401

CB(O)N1CCC(N2C(=O)c3cc(N)c(N)cc3C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TMEM97 Q5BJF2 3/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPK1 P28482 2/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.32
HTR3E A5X5Y0 1/20 0.32

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
SCHEMBL773419 0.86 ACHE (0.38) TSHRL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL768152 0.80 TMEM97 (0.46) TSHRL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL12135398 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10ATM
SCHEMBL768508 0.67 MAPT (0.45) L3MBTL1ALDH1A1TMEM97HTR2BLMNA
SCHEMBL12705387 0.67 ADRA1D (0.41) TSHRL3MBTL1MEN1KMT2A
SCHEMBL12705363 0.66 ADRA1D (0.45) TSHRL3MBTL1ALDH1A1ATMSMN1; SMN2
SCHEMBL767596 0.64 TMEM97 (0.43) L3MBTL1ALDH1A1SMN1; SMN2TMEM97HTR2B
SCHEMBL2657805 0.63 DDB1 (0.57) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12575352 0.63 KDM5A (0.42) ACHE
SCHEMBL773506 0.61 GNAI3 (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 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-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-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 (3 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 TSHR 3298/4885L3MBTL1 4527/4885ALDH1A1 1899/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP TSHR 3298/4885L3MBTL1 4527/4885ALDH1A1 1899/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP TSHR 3298/4885L3MBTL1 4527/4885ALDH1A1 1899/4885

“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.