SCHEMBL11957717

SCHEMBL11957717

Clc1ccc(C2CN(Cc3ccccc3)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
CNR1 P21554 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
DRD4 P21917 5/20 0.46
DRD2 P14416 4/20 0.46
TRPV4 Q9HBA0 1/20 0.45
MDM2 Q00987 1/20 0.45
DPP4 P27487 1/20 0.44
TACR1 P25103 2/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
DRD3 P35462 1/20 0.42

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
SCHEMBL11957792 0.93 CNR1 (0.47) SIGMAR1CNR1SLC6A2SLC6A4DRD4
SCHEMBL11957754 0.93 SIGMAR1 (0.50) SIGMAR1CNR1SLC6A2SLC6A4DRD4
SCHEMBL11957784 0.92 DRD2 (0.46) SIGMAR1CNR1SLC6A2SLC6A4DRD4
SCHEMBL13134863 0.91 ESR1 (0.45) SIGMAR1CNR1DRD4DRD2MDM2
SCHEMBL11957782 0.90 CNR1 (0.48) SIGMAR1CNR1SLC6A2SLC6A4DRD4
SCHEMBL11957779 0.90 CNR2 (0.46) SIGMAR1CNR1SLC6A2SLC6A4DRD4
SCHEMBL11957785 0.90 ALDH1A1 (0.52) SIGMAR1
SCHEMBL11957734 0.90 SLC6A2 (0.47) SIGMAR1CNR1SLC6A2SLC6A4DRD4
SCHEMBL11957740 0.89 CNR1 (0.48) SIGMAR1CNR1MDM2
SCHEMBL11957738 0.89 CNR1 (0.44) SIGMAR1CNR1SLC6A2SLC6A4DRD4

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 SIGMAR1 114/4885CNR1 1/4885SLC6A2 1000/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 SIGMAR1 114/4885CNR1 1/4885SLC6A2 1000/4885

“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.