SCHEMBL11957792

SCHEMBL11957792

Clc1ccc(C2CN(Cc3ccc(-c4ccccc4)cc3)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
DRD2 P14416 7/20 0.43
LSS P48449 1/20 0.43
DRD4 P21917 6/20 0.42
MDM2 Q00987 1/20 0.42
DRD3 P35462 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
CCR5 P51681 1/20 0.39

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
SCHEMBL11957717 0.93 SIGMAR1 (0.51) CNR1SIGMAR1DRD2DRD4MDM2
SCHEMBL11957784 0.93 DRD2 (0.46) CNR1SIGMAR1DRD2LSSDRD4
SCHEMBL11957779 0.88 CNR2 (0.46) CNR1SIGMAR1DRD2DRD4MDM2
SCHEMBL11957764 0.87 KMT2A (0.48) CNR1SIGMAR1DRD4MDM2SLC6A2
SCHEMBL11957741 0.86 CNR1 (0.54) CNR1DRD2DRD4MDM2SLC6A2
SCHEMBL11980141 0.86 CNR1 (0.49) CNR1SIGMAR1DRD2LSSDRD4
SCHEMBL11957773 0.86 CNR1 (0.49) CNR1SIGMAR1DRD2DRD4MDM2
SCHEMBL14787416 0.86 CNR1 (0.49) CNR1SIGMAR1DRD2LSSDRD4
SCHEMBL11957754 0.86 SIGMAR1 (0.50) CNR1SIGMAR1DRD2DRD4MDM2
SCHEMBL11957742 0.86 CNR1 (0.49) CNR1SIGMAR1DRD2DRD4MDM2

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 1/4885SIGMAR1 114/4885DRD2 129/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885SIGMAR1 114/4885DRD2 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.