SCHEMBL264131

SCHEMBL264131

C=C(C)c1ccc2cc(C(=O)OC)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
ALOX15 P16050 1/20 0.55
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
XDH P47989 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
LCK P06239 1/20 0.46
PTPN11 Q06124 1/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL31017201 0.85 HTT (0.57) HTTALOX15CA12CA1CA2
SCHEMBL1644188 0.84 CYP2A6 (0.46) KDM4EALDH1A1PDE4BHSD17B14NPC1
SCHEMBL1665704 0.84 HTT (0.56) HTTALOX15CA12CA1CA2
SCHEMBL21290591 0.83 TDP1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16289439 0.80 HTT (0.59) HTTALOX15CA12CA1CA2
SCHEMBL262969 0.79 PTPN11 (0.57) HTTALOX15CA12CA1CA2
SCHEMBL17203103 0.78 HTT (0.60) HTTALOX15CA12CA1CA2
SCHEMBL4540728 0.78 HTT (0.60) HTTALOX15CA12CA1CA2
SCHEMBL30718816 0.78 HTT (0.60) HTTALOX15CA12CA1CA2
SCHEMBL23535667 0.77 HTT (0.59) HTTALOX15CA12CA1CA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
EP-2091944-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer, Inc. (US) 2009-08-26 EP disclosed
EP-2044018-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS Pfizer Japan, Inc. (JP) 2009-04-08 EP disclosed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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 (3 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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 HTT 2454/4885ALOX15 958/4885CA12 3661/4885
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 HTT 1765/4885ALOX15 992/4885CA12 4214/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 HTT 3273/4885ALOX15 386/4885CA12 4029/4885

“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.