SCHEMBL11957744

SCHEMBL11957744

N#Cc1cccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CLPP Q16740 5/20 0.41
CCR2 P41597 1/20 0.39
FAAH O00519 1/20 0.39
ROCK2 O75116 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
DRD4 P21917 2/20 0.38
MLNR O43193 1/20 0.37
MDM2 Q00987 1/20 0.37
CHRM3 P20309 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
SCHEMBL10049622 0.90 SIGMAR1 (0.42) CNR1CCR2SIGMAR1DRD4MDM2
SCHEMBL10049330 0.90 SIGMAR1 (0.42) CNR1CCR2SIGMAR1DRD4MDM2
SCHEMBL11979760 0.90 CNR1 (0.47) CNR1CCR2ROCK2SIGMAR1DRD4
SCHEMBL11958315 0.90 CNR1 (0.47) CNR1CCR2ROCK2SIGMAR1DRD4
SCHEMBL11979781 0.90 CNR1 (0.47) CNR1CCR2ROCK2SIGMAR1DRD4
SCHEMBL11957754 0.88 SIGMAR1 (0.50) CNR1SIGMAR1DRD4MDM2
SCHEMBL11980190 0.88 CNR1 (0.42) CNR1CCR2ROCK2SIGMAR1DRD4
SCHEMBL11958313 0.88 CNR1 (0.42) CNR1CCR2ROCK2SIGMAR1DRD4
SCHEMBL11957717 0.86 SIGMAR1 (0.51) CNR1SIGMAR1DRD4MDM2
SCHEMBL13134919 0.86 DRD4 (0.43) CNR1CCR2FAAHSIGMAR1DRD4

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 1/4885MRGPRX4 1374/4885CLPP 4666/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885MRGPRX4 1374/4885CLPP 4666/4885

“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.