SCHEMBL2636638

SCHEMBL2636638

NCC(=O)N1CCC(Oc2ccccc2OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
SCD O00767 6/20 0.44
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 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
SCHEMBL2636637 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ANPSR1HTR2C
SCHEMBL2636564 0.81 CHRM3 (0.46) SMN1; SMN2SIGMAR1SCD
SCHEMBL2636756 0.81 SCD (0.45) SMN1; SMN2SIGMAR1SCD
SCHEMBL2195527 0.80 PDE4A (0.53)
SCHEMBL2636380 0.80 SCD (0.60) MEN1KMT2ASCD
SCHEMBL2637686 0.80 SCD (0.54) SMN1; SMN2SCD
SCHEMBL2636653 0.79 KCNH2 (0.52) SCDALDH1A1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL69704 0.79 SCD (0.62) SCD
SCHEMBL2637852 0.79 HRH1 (0.46) SMN1; SMN2SCDHRH1
SCHEMBL2636525 0.78 LMNA (0.45) SMN1; SMN2SCDALDH1A1L3MBTL1LMNA

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 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 SMN1; SMN2 3937/4885MEN1 4884/4885KMT2A 1352/4885

“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.