SCHEMBL1754353

SCHEMBL1754353

Cc1cc([C@@H](C)NC(=O)c2ccc3cc(C(C)(C)C)ccc3c2)c(Cl)cc1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
ESRRG P62508 1/20 0.39
PPARG P37231 8/20 0.39
PDE2A O00408 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 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
SCHEMBL2361366 1.00 KMT2A (0.44) KMT2AMEN1NR1H4ESRRGPPARG
SCHEMBL1754349 0.86 TAS1R3 (0.47) KMT2AMEN1NR1H4CYP3A4TAS1R3
SCHEMBL2106651 0.83 MEN1 (0.41) KMT2AMEN1PPARGPDE2ATAS1R3
SCHEMBL2106482 0.83 MEN1 (0.41) KMT2AMEN1PPARGPDE2ATAS1R3
SCHEMBL2106773 0.78 MEN1 (0.39) KMT2AMEN1PPARGPDE2ATAS1R3
SCHEMBL2108963 0.77 PDE2A (0.46) KMT2AMEN1PPARGPDE2A
SCHEMBL1644914 0.76 PDE2A (0.45) KMT2AMEN1PPARGPDE2ACYP3A4
SCHEMBL21467201 0.76 CYP17A1 (0.57) KMT2AMEN1NR1H4CYP17A1CYP3A4
SCHEMBL4547700 0.75 NR1H4 (0.46) KMT2AMEN1NR1H4PPARGPDE2A
SCHEMBL10271858 0.75 PDE2A (0.46) KMT2AMEN1NR1H4PPARGPDE2A

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 11 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
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
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
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
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 WO 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 KMT2A 2843/4885MEN1 4681/4885NR1H4 708/4885

“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.