SCHEMBL13209352

SCHEMBL13209352

CC(C)(C)n1ccc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ CDC7 O00311 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HTR7 P34969 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ FABP4 P15090 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CYP2A6 P11509 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ AR P10275 2/20 0.33
▸ SCD O00767 2/20 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
SCHEMBL25696558 0.85 HTR2C (0.46) HTR2CHTR2AKCNH2FABP4MAPT
SCHEMBL1576504 0.81 FABP4 (0.44) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL13209720 0.78 HTR2A (0.45) HTR2CHTR2AROCK1HTR7FABP4
SCHEMBL16589295 0.77 KCNH2 (0.41) CDC7CDK2HTR7KCNH2MAPT
SCHEMBL26596969 0.77 PRKCI (0.44) KCNH2MAPTSLC6A2SLC6A4CYP2A6
SCHEMBL24943632 0.74 HTR7 (0.42) HTR2CHTR2AHTR7MAPTCYP2A6
SCHEMBL30221529 0.74 CYP2A6 (0.53) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL2436552 0.74 CYP2A6 (0.53) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL4488558 0.72 HTR2C (0.42) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL645711 0.71 CDK4 (0.45) HTR2CHTR2AMAPTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 — — US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 — — US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 — — US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 — — 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 (1 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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 HTR2C 282/4885HTR2A 295/4885CDC7 2569/4885

“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.

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