SCHEMBL6980427

SCHEMBL6980427

O=COc1cc(Cl)ccc1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.43
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL6980421 1.00 DRD4 (0.43) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL6980425 1.00 DRD4 (0.43) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL21468855 0.84 ALDH1A1 (0.46) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL1044742 0.84 ALDH1A1 (0.46) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL1018660 0.83 ALDH1A1 (0.42) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL6978414 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL1019294 0.83 ALDH1A1 (0.42) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL1019619 0.83 ALDH1A1 (0.42) DRD4ALDH1A1GLATP53CYP3A4
SCHEMBL6978419 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6978416 0.83 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
WO-2018013776-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 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 (2 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-20190315774-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, PF4 DRD4 607/4885ALDH1A1 2845/4885GLA 2196/4885
US-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R DRD4 925/4885ALDH1A1 2558/4885GLA 1576/4885

“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.