SCHEMBL2106773

SCHEMBL2106773

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)c(Cl)cc1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE2A O00408 4/20 0.36
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PPARG P37231 4/20 0.33
CDK2 P24941 1/20 0.33
AKT1 P31749 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
CA2 P00918 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL2106482 0.91 MEN1 (0.41) MEN1KMT2APDE2ATDP1TAS1R3
SCHEMBL2106651 0.91 MEN1 (0.41) MEN1KMT2APDE2ATDP1TAS1R3
SCHEMBL1753951 0.88 TAS1R3 (0.41) MEN1KMT2ATAS1R3TAS1R1CYP1A2
SCHEMBL2330442 0.81 CYP1A2 (0.36) MEN1KMT2APDE2ATDP1CYP1A2
SCHEMBL1754358 0.80 PPARG (0.35) PDE2ATAS1R3TAS1R1PPARG
SCHEMBL1841106 0.80 BRPF1 (0.41) CDK2AKT1CYP2C9
SCHEMBL1841102 0.80 BRPF1 (0.41) CDK2AKT1CYP2C9
SCHEMBL1843752 0.80 BRPF1 (0.41) CDK2AKT1CYP2C9
SCHEMBL1839109 0.79 ROCK2 (0.35) PDE2A
SCHEMBL1643883 0.79 PDE2A (0.33) MEN1KMT2APDE2ATAS1R3TAS1R1

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
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US claimed
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 MEN1 4681/4885KMT2A 2843/4885PDE2A 2079/4885

“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.