SCHEMBL11957781

SCHEMBL11957781

Cc1ccc(C2CN(Cc3cc(C)cc(Cl)c3)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
MDM2 Q00987 2/20 0.37
DRD4 P21917 6/20 0.36
DRD2 P14416 5/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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 0.97 CNR1 (0.44) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL14787423 0.91 CNR1 (0.49) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL11957782 0.89 CNR1 (0.48) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL11957994 0.86 CNR1 (0.55) CNR1DRD4DRD2SIGMAR1ALDH1A1
SCHEMBL11958314 0.85 DRD4 (0.45) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL11957814 0.83 CNR1 (0.43) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL11957754 0.82 SIGMAR1 (0.50) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL11957717 0.82 SIGMAR1 (0.51) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL11957812 0.81 CNR1 (0.51) CNR1MDM2DRD4DRD2SIGMAR1
SCHEMBL11958803 0.81 LSS (0.44) CNR1MDM2DRD4DRD2ALDH1A1

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-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 (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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885MDM2 4116/4885DRD4 687/4885

“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.