SCHEMBL69628

SCHEMBL69628

O=C(NCC(=O)N1CCC(Nc2ccc(F)cc2F)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.41
OPRM1 P35372 1/20 0.41
PAK1 Q13153 1/20 0.41
P2RY12 Q9H244 4/20 0.39
JAK1 P23458 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
EEF2K O00418 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
GRM5 P41594 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL29384699 1.00 FLT3 (0.41) FLT3OPRM1PAK1P2RY12JAK1
SCHEMBL71092 0.90 SCD (0.44) P2RY12
SCHEMBL29384738 0.90 SCD (0.44) P2RY12
SCHEMBL70174 0.89 SCD (0.44) P2RY12
SCHEMBL29384715 0.85 P2RY12 (0.44) FLT3P2RY12SMN1; SMN2
SCHEMBL70832 0.85 SCD (0.43) PAK1P2RY12SMN1; SMN2KMT2A
SCHEMBL70773 0.85 P2RY12 (0.41) FLT3P2RY12SMN1; SMN2
SCHEMBL69043 0.85 P2RY12 (0.44) FLT3P2RY12SMN1; SMN2
SCHEMBL29381941 0.84 P2RY12 (0.43) FLT3P2RY12SMN1; SMN2
SCHEMBL69533 0.84 P2RY12 (0.43) FLT3P2RY12SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 FLT3 4290/4885OPRM1 3623/4885PAK1 574/4885

“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.