SCHEMBL11957738

SCHEMBL11957738

Oc1cccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 1/20 0.41
MDM2 Q00987 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL11957754 0.91 SIGMAR1 (0.50) CNR1DRD2DRD4MDM2SIGMAR1
SCHEMBL13134863 0.89 ESR1 (0.45) CNR1DRD2DRD4MDM2SIGMAR1
SCHEMBL11957742 0.89 CNR1 (0.49) CNR1DRD2DRD4MDM2SIGMAR1
SCHEMBL11957717 0.89 SIGMAR1 (0.51) CNR1DRD2DRD4MDM2SIGMAR1
SCHEMBL11957740 0.87 CNR1 (0.48) CNR1MDM2SIGMAR1ALDH1A1
SCHEMBL11957784 0.86 DRD2 (0.46) CNR1DRD2DRD4MDM2SIGMAR1
SCHEMBL11957744 0.85 CNR1 (0.42) CNR1DRD4MDM2SIGMAR1
SCHEMBL11957751 0.85 SIGMAR1 (0.51) CNR1DRD2DRD4SIGMAR1ALDH1A1
SCHEMBL11957767 0.85 MEN1 (0.46) CNR1MDM2ALDH1A1KDM4ELMNA
SCHEMBL14787416 0.84 CNR1 (0.49) CNR1DRD2DRD4MDM2SIGMAR1

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 1/4885OPRM1 49/4885OPRD1 69/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885OPRM1 49/4885OPRD1 69/4885

“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.