SCHEMBL1838894

SCHEMBL1838894

C[C@@H](NC(=O)c1ccc2nc(C(F)(F)F)ccc2c1)c1cnn(C)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.43
KCNT1 Q5JUK3 9/20 0.39
MGLL Q99685 1/20 0.36
DDR2 Q16832 3/20 0.36
KCNQ1 P51787 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
KCNMB1 Q16558 1/20 0.36
KCNT2 Q6UVM3 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
TRPA1 O75762 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGDS O60760 1/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL1843009 1.00 BRPF1 (0.43) BRPF1KCNT1MGLLDDR2KCNQ1
SCHEMBL1838899 1.00 BRPF1 (0.43) BRPF1KCNT1MGLLDDR2KCNQ1
SCHEMBL1841089 0.92 BRPF1 (0.41) BRPF1KCNT1DDR2KCNQ1KCNH2
SCHEMBL1840878 0.92 BRPF1 (0.41) BRPF1KCNT1DDR2KCNQ1KCNH2
SCHEMBL1839081 0.92 BRPF1 (0.41) BRPF1KCNT1DDR2KCNQ1KCNH2
SCHEMBL1839208 0.90 BRPF1 (0.43) BRPF1KCNT1MGLLDDR2KCNQ1
SCHEMBL1840121 0.90 BRPF1 (0.43) BRPF1KCNT1MGLLDDR2KCNQ1
SCHEMBL1842135 0.90 BRPF1 (0.43) BRPF1KCNT1MGLLDDR2KCNQ1
SCHEMBL1844278 0.90 BRPF1 (0.54) BRPF1KCNT1MGLLDDR2KCNQ1
SCHEMBL1842642 0.90 BRPF1 (0.54) BRPF1KCNT1MGLLDDR2KCNQ1

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-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP claimed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US claimed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 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
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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 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 (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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 BRPF1 1691/4885KCNT1 287/4885MGLL 3578/4885

“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.