SCHEMBL11958684

SCHEMBL11958684

Clc1ccc(C2CNCCN2c2ncc(Cl)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MDM2 Q00987 11/20 0.41
HTR2C P28335 6/20 0.41
HTR2A P28223 4/20 0.41
HTR2B P41595 4/20 0.41

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
SCHEMBL25561682 0.88 MDM2 (0.54) CYP2D6SLC6A2SLC6A4SLC6A3MDM2
SCHEMBL11958085 0.79 HTR2C (0.53) CYP2D6SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL11958228 0.79 HTR2C (0.53) CYP2D6SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL11957710 0.79 HTR2C (0.53) CYP2D6SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL11958335 0.76 HTR3A (0.49) CYP2D6SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL38662188 0.73 SLC6A2 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL2253446 0.72 CYP2D6 (0.79) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL11958758 0.72 HTR2C (0.46) CYP2D6HTR2CHTR2AHTR2B
SCHEMBL11958801 0.72 HTR2C (0.46) CYP2D6HTR2CHTR2AHTR2B
SCHEMBL11958220 0.72 HTR2C (0.49) CYP2D6HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CYP2D6 1031/4885SLC6A2 1000/4885SLC6A4 656/4885

“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.