SCHEMBL1754182

SCHEMBL1754182

Cc1cc(CNC(=O)c2ccc3nc(C(C)(C)C)ccc3c2)c(F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
NR1H4 Q96RI1 2/20 0.47
HSD17B14 Q9BPX1 1/20 0.38
TP53 P04637 2/20 0.38
ESRRG P62508 2/20 0.38
BTK Q06187 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KLKB1 P03952 2/20 0.36
MAP4K1 Q92918 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2108295 0.88 LMNA (0.44) EPHX2NR1H4TP53LMNAALDH1A1
SCHEMBL2333574 0.87 MAPT (0.43) EPHX2NR1H4TP53LMNASMN1; SMN2
SCHEMBL1754354 0.77 MAPT (0.43) EPHX2NR1H4TP53LMNASMN1; SMN2
SCHEMBL1754176 0.75 TRPV1 (0.45) EPHX2NR1H4TP53LMNASMN1; SMN2
SCHEMBL1753966 0.75 TRPV1 (0.45) EPHX2NR1H4TP53LMNASMN1; SMN2
SCHEMBL14378424 0.75 NR1H4 (0.47) EPHX2NR1H4TP53LMNASMN1; SMN2
SCHEMBL2106651 0.71 MEN1 (0.41) LMNACA2ALDH1A1KLKB1MAP4K1
SCHEMBL2106482 0.71 MEN1 (0.41) LMNACA2ALDH1A1KLKB1MAP4K1
SCHEMBL13491359 0.70 KMT2A (0.60) TP53LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL264812 0.70 TRPV1 (0.39) LMNASMN1; SMN2ALDH1A1PKMHTT

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 12 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
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 EPHX2 3003/4885NR1H4 708/4885HSD17B14 3462/4885

“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.