SCHEMBL11957742

SCHEMBL11957742

Oc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
DRD4 P21917 3/20 0.49
DRD2 P14416 2/20 0.49
MDM2 Q00987 4/20 0.43
SIGMAR1 Q99720 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL11958211 0.92 CNR1 (0.55) CNR1DRD4DRD2
SCHEMBL14787416 0.91 CNR1 (0.49) CNR1DRD4DRD2MDM2SIGMAR1
SCHEMBL11957738 0.89 CNR1 (0.44) CNR1DRD4DRD2MDM2SIGMAR1
SCHEMBL13134863 0.89 ESR1 (0.45) CNR1DRD4DRD2MDM2SIGMAR1
SCHEMBL11957741 0.88 CNR1 (0.54) CNR1DRD4DRD2MDM2
SCHEMBL11980141 0.88 CNR1 (0.49) CNR1DRD4DRD2MDM2SIGMAR1
SCHEMBL11957773 0.88 CNR1 (0.49) CNR1DRD4DRD2MDM2SIGMAR1
SCHEMBL14787423 0.88 CNR1 (0.49) CNR1DRD4DRD2MDM2SIGMAR1
SCHEMBL11957717 0.88 SIGMAR1 (0.51) CNR1DRD4DRD2MDM2SIGMAR1
SCHEMBL11957782 0.88 CNR1 (0.48) CNR1DRD4DRD2MDM2SIGMAR1

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 1/4885DRD4 687/4885DRD2 129/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885DRD4 687/4885DRD2 129/4885

“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.