SCHEMBL2108963

SCHEMBL2108963

Cc1cc([C@@H](C)NC(=O)c2cnc3cc(C(F)(F)F)ccc3c2)c(Cl)cc1O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.46
HPGDS O60760 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.40
BRAF P15056 1/20 0.40
PPARG P37231 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL1753789 0.88 HPGDS (0.48) PDE2AHPGDSMAOBBRAFPPARG
SCHEMBL1284987 0.86 PDE2A (0.45) PDE2AHPGDSMEN1KMT2AMAOB
SCHEMBL1285400 0.86 PDE2A (0.45) PDE2AHPGDSMEN1KMT2AMAOB
SCHEMBL14378401 0.81 PDE2A (0.45) PDE2AHPGDSMAOBBRAF
SCHEMBL1645337 0.78 PDE2A (0.42) PDE2AHPGDSMAOBBRAF
SCHEMBL1284842 0.78 PDE2A (0.44) PDE2AHPGDSMAOBBRAF
SCHEMBL2361366 0.77 KMT2A (0.44) PDE2AMEN1KMT2APPARG
SCHEMBL1754353 0.77 KMT2A (0.44) PDE2AMEN1KMT2APPARG
SCHEMBL2106773 0.77 MEN1 (0.39) PDE2AMEN1KMT2APPARG
SCHEMBL14147967 0.76 PPARG (0.44) PDE2AHPGDSMAOBBRAFPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP claimed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US claimed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP 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 PDE2A 2079/4885HPGDS 2544/4885MEN1 4681/4885

“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.