SCHEMBL11957710

SCHEMBL11957710

Clc1ccc(C2CNCCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.53
HTR2A P28223 7/20 0.48
HTR2B P41595 6/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR1 P21554 1/20 0.46
HTR3A P46098 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL11958228 1.00 HTR2C (0.53) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL11958085 1.00 HTR2C (0.53) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL11980424 0.92 HTR2C (0.49) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL11958220 0.92 HTR2C (0.49) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL13134846 0.92 HTR2C (0.51) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL11958801 0.89 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL13876599 0.89 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL11958758 0.89 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL11958214 0.89 HTR2C (0.46) HTR2CHTR2AHTR2BALDH1A1CYP1A2
SCHEMBL10049349 0.87 HTR2C (0.44) HTR2CHTR2AHTR2BALDH1A1CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819684-B1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INT BV (NL) 2013-08-07 EP disclosed
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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INC. 2010-11-11 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
WO-2009005671-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO 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 (3 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-20100286160-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 HTR2C 22/4885HTR2A 37/4885HTR2B 45/4885
US-20130072468-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 HTR2C 22/4885HTR2A 37/4885HTR2B 45/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 HTR2C 22/4885HTR2A 37/4885HTR2B 45/4885

“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.