SCHEMBL16285307

SCHEMBL16285307

CC(C)(C)c1nc2c(s1)CN(C(=O)CO)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GRM5 P41594 10/20 0.45
DPP4 P27487 4/20 0.43
DPP8 Q6V1X1 4/20 0.43
DPP7 Q9UHL4 4/20 0.43
DPP9 Q86TI2 3/20 0.43
HCAR1 Q9BXC0 2/20 0.38
HCAR2 Q8TDS4 1/20 0.36
GHSR Q92847 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRAMD1A Q96CP6 1/20 0.35

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
SCHEMBL16285303 0.89 NPC1 (0.59) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL2697700 0.86 GRM5 (0.45) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL2699242 0.85 GRM5 (0.53) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL16286087 0.82 DPP4 (0.52) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL2700056 0.82 RXFP1 (0.46) NPC1RAB9AGRM5KDM4EALDH1A1
SCHEMBL20368922 0.81 GRM5 (0.42) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL9964552 0.81 GRAMD1A (0.44) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL12340949 0.81 GRM5 (0.39) NPC1RAB9AGRM5DPP4DPP8
SCHEMBL2699291 0.80 GRAMD1A (0.53) KDM4ESMN1; SMN2GRAMD1A
SCHEMBL16286098 0.80 NPC1 (0.51) NPC1RAB9AGRM5DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238658-B2 Substituted piperidinyl-carboxamide derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-01-19 US disclosed
US-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-11 US 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-20140364393-A1 SUBSTITUTED PIPERIDINYL-CARBOXAMIDE DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, FASN NPC1 120/4885RAB9A 2991/4885GRM5 2827/4885

“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.