SCHEMBL1754342

SCHEMBL1754342

COc1cc(CN)c(Br)cc1O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
TAAR1 Q96RJ0 5/20 0.47
HTR2A P28223 4/20 0.47
HTR2C P28335 1/20 0.47
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
NFKB1 P19838 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GLA P06280 1/20 0.42
HMGCR P04035 1/20 0.42
MEN1 O00255 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL18475740 0.83 TRPV1 (0.49) TRPV1TAAR1HTR2AHTR2CCYP3A4
SCHEMBL12629209 0.79 TAAR1 (0.46) TAAR1TSHRMAPK1LMNANFKB1
SCHEMBL5351939 0.79 TAAR1 (0.62) TAAR1HTR2AHTR2CTSHRMAPK1
SCHEMBL2908281 0.79 HMGCR (0.50) TAAR1TSHRMAPK1LMNANFKB1
SCHEMBL1753781 0.78 TRPV1 (0.48) TRPV1TAAR1TSHRMAPK1LMNA
SCHEMBL12629556 0.78 TRPV1 (0.48) TRPV1TAAR1HTR2AHTR2CTSHR
SCHEMBL13225464 0.78 TAAR1 (0.50) TRPV1TAAR1TSHRMAPK1LMNA
SCHEMBL5099200 0.77 GAA (0.53) TRPV1TSHRNFKB1CYP3A4HMGCR
Hydrochloric Acid SCHEMBL2007942 0.76 TRPV1 (0.47) TRPV1TAAR1HTR2AHTR2CTSHR
Hydrochloric Acid SCHEMBL2007605 0.76 TRPV1 (0.47) TRPV1TAAR1TSHRMAPK1LMNA

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
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
EP-2222631-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2010-09-01 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
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 TRPV1 1/4885TAAR1 471/4885HTR2A 456/4885

“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.