SCHEMBL2108087

SCHEMBL2108087

Cc1cc([C@@H](C)NC(=O)c2cccc3nc(C(C)(C)C)ccc23)c(Cl)cc1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TACR3 P29371 1/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2329497 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19TDP1LMNA
SCHEMBL2328729 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19TDP1LMNA
SCHEMBL2106482 0.80 MEN1 (0.41) CYP1A2CYP2C19TDP1LMNAMEN1
SCHEMBL2106651 0.80 MEN1 (0.41) CYP1A2CYP2C19TDP1LMNAMEN1
SCHEMBL2330442 0.77 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19TDP1MEN1
SCHEMBL2332116 0.75 MEN1 (0.43) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2329485 0.75 MEN1 (0.43) TP53LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2332522 0.74 KMT2A (0.42) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL2106773 0.72 MEN1 (0.39) CYP1A2CYP2C19TDP1MEN1KMT2A
SCHEMBL3292156 0.70 TAS1R3 (0.46) CYP1A2CYP3A4CYP2C19LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 CYP1A2 1772/4885CYP3A4 2344/4885CYP2C19 1672/4885

“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.