SCHEMBL11957782

SCHEMBL11957782

Clc1ccc(C2CN(Cc3cc(Cl)cc(Cl)c3)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
MDM2 Q00987 4/20 0.43
SIGMAR1 Q99720 3/20 0.39
DRD2 P14416 7/20 0.38
DRD4 P21917 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
LSS P48449 1/20 0.35

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
SCHEMBL14787685 0.92 CNR1 (0.44) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11957754 0.91 SIGMAR1 (0.50) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11957717 0.90 SIGMAR1 (0.51) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11957812 0.90 CNR1 (0.51) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11957781 0.89 CNR1 (0.41) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11957741 0.88 CNR1 (0.54) CNR1MDM2DRD2DRD4SLC6A2
SCHEMBL14787416 0.88 CNR1 (0.49) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11980141 0.88 CNR1 (0.49) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11958322 0.88 LSS (0.48) CNR1MDM2SIGMAR1DRD2DRD4
SCHEMBL11957773 0.88 CNR1 (0.49) CNR1MDM2SIGMAR1DRD2DRD4

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 1/4885MDM2 4116/4885SIGMAR1 114/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885MDM2 4116/4885SIGMAR1 114/4885

“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.