SCHEMBL2636637

SCHEMBL2636637

NC(=O)C(=O)N1CCC(Oc2ccccc2OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
C5AR1 P21730 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
EPHX2 P34913 1/20 0.43
PDE4B Q07343 2/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RBP4 P02753 1/20 0.42

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
SCHEMBL2636638 0.85 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19HTR2CHTR2BNPC1
SCHEMBL2195527 0.80 PDE4A (0.53) PDE4B
SCHEMBL2636562 0.79 CHRM3 (0.47) EPHX2PDE4BRBP4
SCHEMBL2636755 0.79 PDE4B (0.46) EPHX2PDE4BRBP4
SCHEMBL2637849 0.79 HRH1 (0.46) EPHX2PDE4BHRH1MEN1KMT2A
SCHEMBL1009838 0.78 EPHX2 (0.56) EPHX2
SCHEMBL2637684 0.78 SCD (0.47) EPHX2PDE4BRBP4
SCHEMBL2636651 0.78 KCNH2 (0.51) EPHX2PDE4BALDH1A1RBP4
SCHEMBL3108136 0.76 RBP4 (0.64) EPHX2PDE4BNPSR1RBP4
SCHEMBL6870992 0.76 PDE4B (0.44) EPHX2PDE4BRBP4

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 3 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
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

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 SMN1; SMN2 3937/4885CYP2C19 3106/4885HTR2C 3384/4885

“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.