SCHEMBL412280

SCHEMBL412280

COC(=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
MAPT P10636 3/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTGS2 P35354 2/20 0.41
NOTUM Q6P988 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
CNR2 P34972 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
SCHEMBL9978233 0.88 CNR1 (0.46) CNR1MAPTKCNH2SCN5ASCN2A
SCHEMBL410983 0.88 CNR1 (0.48) CNR1MAPTMRGPRX4KCNH2SCN5A
SCHEMBL411097 0.79 NPC1 (0.43) CNR1MAPTKCNH2SCN5ASCN2A
SCHEMBL411906 0.79 CNR1 (0.44) CNR1MAPTKCNH2SCN5ASCN2A
SCHEMBL9973792 0.77 CNR1 (0.74) CNR1CNR2
SCHEMBL9978227 0.77 SLC6A3 (0.41) CNR1MAPTSCN5ASLC6A3PTGS2
SCHEMBL2114314 0.77 CNR1 (0.44) CNR1MAPTMRGPRX4KCNH2SCN5A
SCHEMBL9931435 0.76 KMO (0.47) CNR1MAPTSLC6A3PTGS2
SCHEMBL412045 0.76 CNR1 (0.42) CNR1MAPTKCNH2SCN5ASCN2A
SCHEMBL412419 0.76 RHOC (0.45) CNR1MAPTKCNH2SCN5ASCN2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
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
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US 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
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-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
US-20120157476-A1 OXIME COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US 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
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
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US 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
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 4619/4885MRGPRX4 665/4885
US-20120157476-A1 OXIME COMPOUNDS APOB, APOL1, PON1 CNR1 1065/4885MAPT 3768/4885MRGPRX4 2762/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR CNR1 269/4885MAPT 4619/4885MRGPRX4 665/4885

“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.