SCHEMBL3432268

SCHEMBL3432268

CC(=O)Cc1nnc(C)o1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL15332460 0.83 HSD17B10 (0.46) NPC1RAB9AHSD17B10SMN1; SMN2KDM4E
SCHEMBL22723879 0.81 HTT (0.38) NPC1RAB9AHSD17B10SMN1; SMN2KMT2A
SCHEMBL20572656 0.79 NPC1 (0.35) NPC1RAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL21423701 0.78 NPC1 (0.37) NPC1RAB9AHSD17B10SMN1; SMN2KMT2A
SCHEMBL23011891 0.76 KDM6B (0.40) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL7265746 0.74 EPHX2 (0.33) SMN1; SMN2
SCHEMBL10959461 0.72
SCHEMBL24158855 0.69 NR4A2 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL762438 0.69
SCHEMBL21110588 0.68 HTT (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-4760147-A Isopropyl 1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2 -yl)pyridine-5-carboxylate CASSELLA AKTIENGESELLSCHAFT (DE) 1988-07-26 US disclosed
US-4681891-A Dihydro-2,6-dimethyl pyridines, formulations and method of use for treating angina pectoris, high blood pressure or disturbances of cerebral or peripheral blood flow CASSELLA AKTIENGESELLSCHAFT (DE) 1987-07-21 US disclosed
EP-0183091-A2 1,4-Dihydropyridines, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-06-04 EP disclosed
EP-0172509-A2 Process for the preparation of optically active, substituted 1,4-dihydropyridines and their use as medicaments CASSELLA Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4558058-A HYPOTENSIVE AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1985-12-10 US disclosed
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 EP 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 (2 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-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB NPC1 437/4885RAB9A 3008/4885HSD17B10 1075/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB NPC1 440/4885RAB9A 3002/4885HSD17B10 1063/4885

“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.