SCHEMBL72571

SCHEMBL72571

COC(=O)c1ccc(C)c(OC2CCNCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
TOP2A P11388 5/20 0.46
HSP90AB1 P08238 3/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL72570 0.99 NOTUM (0.47) NOTUMTOP2AHSP90AB1PDE4APDE4B
SCHEMBL23704079 0.90 NOTUM (0.54) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL30117191 0.90 NOTUM (0.54) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL7427328 0.84 PDE4D (0.53) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL2215999 0.83 UTS2R (0.50) TOP2AHSP90AB1PDE4APDE4BPDE4C
SCHEMBL30755352 0.79 PDE4D (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL27372087 0.79 PDE4D (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL239876 0.79 HRH1 (0.53) MAPT
SCHEMBL18031253 0.78 MAPT (0.53) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL13646074 0.78 HTR2C (0.47) NOTUMHSP90AB1MEN1CYP2D6KMT2A

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 4 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
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

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 NOTUM 86/4885TOP2A 2070/4885HSP90AB1 1986/4885

“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.