SCHEMBL70414

SCHEMBL70414

CC(C)(C)OC(=O)N1CCC(Oc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
GPR119 Q8TDV5 8/20 0.52
SCD O00767 1/20 0.50
PDE4B Q07343 3/20 0.48
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNB3 P54284 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNG7 P62955 1/20 0.46

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
SCHEMBL3799984 0.93 USP30 (0.48) KDM1AGPR119SCDPDE4BALDH1A1
SCHEMBL213097 0.89 KDM1A (0.56) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL17155352 0.89 GPR119 (0.52) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL1654395 0.87 KDM1A (0.50) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL6113016 0.87 GPR119 (0.54) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL30750701 0.85 KDM4E (0.49) GPR119ALDH1A1LMNAMAPTKDM4E
SCHEMBL359504 0.84 GPR119 (0.52) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL4094373 0.84 KDM1A (0.49) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL19297092 0.84 GPR119 (0.52) KDM1AGPR119PDE4BPDE4DPDE4A
SCHEMBL9014082 0.84 SCD (0.55) SCDALDH1A1KDM4E

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 KDM1A 450/4885GPR119 691/4885SCD 1/4885

“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.