SCHEMBL16285299

SCHEMBL16285299

CC(C)(C)c1cc2n(n1)CCCC2=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
GRM5 P41594 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32

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
SCHEMBL12622660 0.75 GRM5 (0.40) KDM4EGRNSORT1GRM5
SCHEMBL14212422 0.74 DRD1 (0.39) KDM4EGRM5
SCHEMBL13424047 0.74 CYP1A2 (0.48) CYP1A2KDM4E
SCHEMBL22021008 0.73 KDM4E (0.37) KDM4EGRNSORT1GRM5
SCHEMBL13423900 0.72 CYP1A2 (0.43) CYP1A2LMNAHTT
SCHEMBL16285308 0.72 CDC7 (0.54) LMNAKDM4EGRNSORT1GRM5
SCHEMBL31613011 0.72 CYP1A2 (0.44) CYP1A2LMNAHTTKDM4E
SCHEMBL12299471 0.70 PDE10A (0.39) GRM5
SCHEMBL1008113 0.70 CYP1A2 (0.48) CYP1A2LMNATSHRHTT
SCHEMBL30926615 0.70 CYP1A2 (0.65) CYP1A2GRM5

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 CYP1A2 753/4885GALR3 3496/4885LMNA 781/4885

“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.