SCHEMBL443283

SCHEMBL443283

COC(=O)c1cnc(OC(C)C(F)(F)F)c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.41
MAPT P10636 2/20 0.39
CNR2 P34972 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
DHODH Q02127 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
PIK3CD O00329 1/20 0.37
PDGFRA P16234 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL412326 1.00 CNR1 (0.41) CNR1MAPTCNR2CSNK2A2CSNK2B
SCHEMBL412106 0.89 CNR1 (0.41) CNR1MAPTCNR2CSNK2A2CSNK2B
SCHEMBL440107 0.89 CNR1 (0.41) CNR1MAPTCNR2CSNK2A2CSNK2B
SCHEMBL9978114 0.89 CNR1 (0.40) CNR1MAPTCNR2PIK3CDPDGFRA
SCHEMBL2114314 0.82 CNR1 (0.44) CNR1MAPTCNR2CSNK2A2CSNK2B
SCHEMBL2114466 0.80 MAP4K4 (0.39) CNR1PIK3CDPDGFRAPIK3CAPIK3CB
SCHEMBL441921 0.79 ALDH1A1 (0.47) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL412068 0.79 ALDH1A1 (0.47) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL442076 0.79 NPC1 (0.43) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL412187 0.79 NPC1 (0.43) CNR1CNR2NPC1RAB9ASMN1; SMN2

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
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
EP-2651895-B1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
US-8669254-B2 Pyridine, pyridazine, pyrimidine or pyrazine carboxamides as HDL-cholesterol raising agents HOFFMAN-LA ROCHE INC. (US) 2014-03-11 US disclosed
EP-2651895-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885MAPT 4619/4885CNR2 435/4885
US-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 CNR1 1065/4885MAPT 3768/4885CNR2 1642/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885MAPT 4619/4885CNR2 435/4885

“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.