SCHEMBL973774

SCHEMBL973774

COC(=O)C1(c2ccccc2)CCN(N)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
OPRM1 P35372 7/20 0.54
OPRD1 P41143 6/20 0.54
OPRK1 P41145 6/20 0.54
ADRA1A P35348 3/20 0.54
SLC22A1 O15245 1/20 0.54
SLC6A4 P31645 1/20 0.54
KCNH2 Q12809 1/20 0.54
KCNA3 P22001 1/20 0.53
ADRA1D P25100 2/20 0.49
ADRA1B P35368 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 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
SCHEMBL14534189 0.86 OPRM1 (0.71) HSD11B1OPRM1OPRD1OPRK1ADRA1A
SCHEMBL8351817 0.85 HSD11B1 (0.60) HSD11B1OPRM1OPRD1OPRK1ADRA1A
SCHEMBL349195 0.85 MEN1 (0.56) HSD11B1OPRM1OPRD1OPRK1ADRA1A
Hydrochloric Acid SCHEMBL8348521 0.84 HSD11B1 (0.59) HSD11B1OPRM1OPRD1OPRK1ADRA1A
SCHEMBL4669195 0.84 OPRM1 (0.50) OPRM1OPRD1OPRK1ADRA1ASLC22A1
SCHEMBL14507954 0.82 CYP2D6 (0.55) HSD11B1OPRM1OPRD1OPRK1ADRA1A
SCHEMBL2481767 0.82 AKR1C1 (0.58) HSD11B1OPRM1OPRD1OPRK1ADRA1A
SCHEMBL27683261 0.82 AKR1C1 (0.63) HSD11B1OPRM1OPRD1OPRK1ADRA1A
SCHEMBL1041983 0.82 AKR1C1 (0.63) HSD11B1MEN1KMT2ACHRM3
Iodomethane SCHEMBL3898463 0.82 MEN1 (0.53) HSD11B1OPRM1OPRD1OPRK1ADRA1A

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-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1951678-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-06 EP disclosed
WO-2007046550-A1 PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-04-26 WO disclosed
CN-1254467-C Preparation method of 4-methylamino-4-phenylpiperidine SANOFI SYNTHELABO (FR) 2006-05-03 CN disclosed
CN-1527817-A Preparation method of 4-methylamino-4-phenylpiperidine ����ɳŵ��-����������˾ 2004-09-08 CN 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-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 HSD11B1 1424/4885OPRM1 79/4885OPRD1 3/4885

“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.