SCHEMBL11957764

SCHEMBL11957764

Clc1ccc(C2CN(Cc3ccc4ccccc4c3)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CNR1 P21554 1/20 0.46
OPRL1 P41146 1/20 0.46
MCHR1 Q99705 3/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ACHE P22303 2/20 0.42
PKM P14618 1/20 0.42
CHKA P35790 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD4 P21917 2/20 0.40
MC4R P32245 1/20 0.40
MC5R P33032 1/20 0.40
MDM2 Q00987 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 0.89 SIGMAR1 (0.51) CNR1SLC6A2SLC6A4ACHESIGMAR1
SCHEMBL11957792 0.87 CNR1 (0.47) KMT2ACNR1SLC6A2SLC6A4ACHE
SCHEMBL11957754 0.87 SIGMAR1 (0.50) KMT2ACNR1SLC6A2SLC6A4SIGMAR1
SCHEMBL11957773 0.87 CNR1 (0.49) CNR1SIGMAR1DRD4MDM2
SCHEMBL11957779 0.86 CNR2 (0.46) KMT2ACNR1SLC6A2SLC6A4SIGMAR1
SCHEMBL11958325 0.86 CNR1 (0.62) CNR1SIGMAR1DRD4MDM2
SCHEMBL11957716 0.86 CNR1 (0.62) CNR1SIGMAR1DRD4MDM2
SCHEMBL11957741 0.84 CNR1 (0.54) CNR1SLC6A2SLC6A4DRD4MDM2
SCHEMBL11980141 0.84 CNR1 (0.49) KMT2ACNR1SLC6A2SLC6A4SIGMAR1
SCHEMBL14787416 0.84 CNR1 (0.49) CNR1SLC6A2SLC6A4SIGMAR1DRD4

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 KMT2A 1954/4885CNR1 1/4885OPRL1 5/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 KMT2A 1954/4885CNR1 1/4885OPRL1 5/4885

“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.