SCHEMBL2110022

SCHEMBL2110022

Cc1cc(CNC(=O)c2ccc3cc(C(C)(C)C)ccc3n2)c(Cl)cc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 9/20 0.43
NR1H4 Q96RI1 7/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.39
SCN9A Q15858 3/20 0.38
TSHR P16473 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
SCHEMBL1753964 0.87 MEN1 (0.49) NPC1RAB9AEPHX2NR1H4MEN1
SCHEMBL2108295 0.80 LMNA (0.44) EPHX2NR1H4PPARG
SCHEMBL2905066 0.79 SCN9A (0.43) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL2328931 0.79 PIM1 (0.44) NPC1RAB9AEPHX2NR1H4MEN1
SCHEMBL1842100 0.76 TP53 (0.46) NPC1RAB9AMEN1KMT2ASCN9A
SCHEMBL263436 0.74 MEN1 (0.47) NPC1RAB9AMEN1KMT2ASCN9A
SCHEMBL4547702 0.74 MEN1 (0.44) NR1H4MEN1KMT2ASCN9A
Hydrochloric Acid SCHEMBL264982 0.73 MEN1 (0.47) NPC1RAB9AMEN1KMT2ASCN9A
SCHEMBL25497861 0.71 MEN1 (0.47) NPC1RAB9AMEN1KMT2ASCN9A
SCHEMBL2324504 0.71 MT-CO2 (0.39) NPC1EPHX2NR1H4MEN1KMT2A

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 NPC1 496/4885RAB9A 3423/4885EPHX2 3003/4885

“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.