SCHEMBL11957740

SCHEMBL11957740

Fc1cccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
RORC P51449 1/20 0.45
NPY2R P49146 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
PAX8 Q06710 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH3A1 P30838 1/20 0.39
SCN1A P35498 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
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
SCHEMBL11957754 0.91 SIGMAR1 (0.50) CNR1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL11957812 0.90 CNR1 (0.51) CNR1SIGMAR1MDM2
SCHEMBL11957741 0.89 CNR1 (0.54) CNR1NPY2RMDM2
SCHEMBL11957717 0.89 SIGMAR1 (0.51) CNR1SIGMAR1MDM2
SCHEMBL11958325 0.88 CNR1 (0.62) CNR1ALDH1A1SIGMAR1MDM2
SCHEMBL11957716 0.88 CNR1 (0.62) CNR1ALDH1A1SIGMAR1MDM2
SCHEMBL11957987 0.88 CNR1 (0.49) CNR1RORCNPY2RALDH1A1KMT2A
SCHEMBL11957738 0.87 CNR1 (0.44) CNR1ALDH1A1SIGMAR1MDM2
SCHEMBL11957767 0.87 MEN1 (0.46) CNR1ALDH1A1KMT2AMEN1SCN1A
SCHEMBL11957784 0.86 DRD2 (0.46) CNR1ALDH1A1SIGMAR1MDM2

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 1/4885RORC 633/4885NPY2R 590/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CNR1 1/4885RORC 633/4885NPY2R 590/4885

“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.