SCHEMBL1269138

SCHEMBL1269138

CC(C)(C[O])Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
LMNA P02545 2/20 0.50
CYP2D6 P10635 2/20 0.50
TRPA1 O75762 1/20 0.44
HIF1A Q16665 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FDPS P14324 1/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 2/20 0.41
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SCN1A P35498 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL1572105 0.85 SLC6A2 (0.64) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL28548162 0.80 SLC6A2 (0.58) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL19118092 0.79 SLC6A2 (0.52) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL4352224 0.78 SLC6A2 (0.56) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL4674456 0.76 TAAR1 (0.60) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL11310649 0.76 SLC6A2 (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL3461269 0.76 SLC6A2 (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL22296342 0.76 SLC6A2 (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL113690 0.76 SLC6A2 (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1
SCHEMBL3610318 0.76 SLC6A2 (0.54) SLC6A2TAAR1LMNACYP2D6TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110691763-A Method for preparing branched chain skip diene 南方科技大学 2020-01-14 CN disclosed
US-8470844-B2 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2013-06-25 US disclosed
US-8383873-B2 Terminal 1,1-disubstituted alkenes, method of making and using thereof THE CHINESE UNIVERSITY OF HONG KONG (CN) 2013-02-26 US disclosed
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 EP disclosed
US-20110201840-A1 TERMINAL 1,1-DISUBSTITUTED ALKENES, METHOD OF MAKING AND USING THEREOF THE CHINESE UNIVERSITY OF HONG KONG (CN) 2011-08-18 US disclosed
WO-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO disclosed
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US disclosed
WO-2010118575-A1 RACEMIC ENANTIOMERS RESOLUTING CHENGDU ORGANIC CHEMICALS CO., LTD, CHINESE ACADEMY OF SCIENCE (CN) 2010-10-21 WO disclosed
US-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-06-03 US disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
US-6143895-A TETRAHYDROQUINOLINONE COMPOUND TREGA BIOSCIENCES, INC. (US) 2000-11-07 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP disclosed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP disclosed
US-5925527-A SCREENING NEW PHARMACEUTICALS TREGA BIOSCIENCES, INC. (US) 1999-07-20 US disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO 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-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use IDH3A, IDH3B, ABL1 SLC6A2 3806/4885TAAR1 2919/4885LMNA 499/4885
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A SLC6A2 2427/4885TAAR1 4160/4885LMNA 3768/4885
US-20110201840-A1 TERMINAL 1,1-DISUBSTITUTED ALKENES, METHOD OF MAKING AND USING THEREOF ALKBH1, ALK, ALKBH3 SLC6A2 2908/4885TAAR1 418/4885LMNA 874/4885

“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.