SCHEMBL11957716

SCHEMBL11957716

Fc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.62
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CNR2 P34972 1/20 0.41
MDM2 Q00987 3/20 0.41
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
DRD4 P21917 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 1/20 0.37
DRD2 P14416 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL11958325 1.00 CNR1 (0.62) CNR1ALDH1A1HTTCNR2MDM2
SCHEMBL11957982 0.96 CNR1 (0.57) CNR1ALDH1A1HTTCNR2MDM2
SCHEMBL11958211 0.94 CNR1 (0.55) CNR1ALDH1A1HTTPDK1PDK2
SCHEMBL11957994 0.94 CNR1 (0.55) CNR1ALDH1A1HTTCNR2PDK1
SCHEMBL11958072 0.93 CNR1 (0.54) CNR1ALDH1A1HTTCNR2MDM2
SCHEMBL11958073 0.92 CNR1 (0.52) CNR1ALDH1A1HTTCNR2MDM2
SCHEMBL11957741 0.92 CNR1 (0.54) CNR1MDM2DRD4MAPTDRD2
SCHEMBL11957992 0.92 CNR1 (0.53) CNR1ALDH1A1HTTMDM2PDK1
SCHEMBL11958075 0.91 CNR1 (0.53) CNR1ALDH1A1HTTCNR2MDM2
SCHEMBL11957990 0.91 CNR1 (0.52) CNR1ALDH1A1HTTCNR2MDM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS GILBERT ERIC J (US) 2013-03-21 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 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 (2 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-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 1520/4885HTT 1252/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885ALDH1A1 1520/4885HTT 1252/4885

“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.