SCHEMBL13209720

SCHEMBL13209720

Cc1ccc2ccn(C(C)(C)C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ CYP1A2 P05177 5/20 0.41
▸ CYP2A6 P11509 5/20 0.41
▸ HTR7 P34969 1/20 0.38
▸ FABP4 P15090 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ CCR9 P51686 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ P2RX7 Q99572 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ ROCK1 Q13464 1/20 0.31
▸ KMO O15229 1/20 0.31
▸ SCD O00767 1/20 0.31

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
SCHEMBL13209349 0.84 HTR2A (0.45) HTR2AHTR2CCYP1A2CYP2A6FABP4
SCHEMBL14849050 0.83 HTR2A (0.32) HTR2AHTR2C
SCHEMBL2626592 0.80 FABP4 (0.45) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL13209352 0.78 HTR2C (0.46) HTR2AHTR2CCYP1A2CYP2A6HTR7
SCHEMBL16589295 0.78 KCNH2 (0.41) CYP1A2CYP2A6HTR7TDP1CCR9
SCHEMBL26596969 0.78 PRKCI (0.44) CYP2A6TDP1MAPT
SCHEMBL2626591 0.77 FABP4 (0.40) HTR2AHTR2CFABP4CCR9KMO
SCHEMBL24943632 0.76 HTR7 (0.42) HTR2AHTR2CCYP2A6HTR7TDP1
SCHEMBL21931148 0.74 CYP1A2 (0.39) HTR2AHTR2CCYP1A2CYP2A6TDP1
SCHEMBL21931145 0.74 CYP1A2 (0.39) CYP1A2CYP2A6MAPT

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-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 — — 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 (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-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 HTR2A 295/4885HTR2C 282/4885CYP1A2 2675/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA HTR2A 4767/4885HTR2C 4755/4885CYP1A2 4641/4885

“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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