SCHEMBL11957785

SCHEMBL11957785

Clc1ccc(C2CN(Cc3cccc(Oc4ccccc4)c3)CCN2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.50
FAAH O00519 5/20 0.48
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR8 P51685 1/20 0.45
KCNH2 Q12809 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TRPV6 Q9H1D0 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 2/20 0.43
SIGMAR1 Q99720 3/20 0.43
ROCK2 O75116 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
SCHEMBL11957779 0.93 CNR2 (0.46) ALDH1A1LMNAFAAHSIGMAR1
SCHEMBL11957717 0.90 SIGMAR1 (0.51) SIGMAR1
SCHEMBL11957751 0.89 SIGMAR1 (0.51) ALDH1A1LMNAKDM4EHTTGAA
SCHEMBL11957754 0.88 SIGMAR1 (0.50) ALDH1A1KDM4EHTTGAASIGMAR1
SCHEMBL11957784 0.87 DRD2 (0.46) ALDH1A1KDM4ESIGMAR1
SCHEMBL11957740 0.84 CNR1 (0.48) ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL11957738 0.84 CNR1 (0.44) ALDH1A1LMNAKDM4EHTTSIGMAR1
SCHEMBL11957764 0.84 KMT2A (0.48) SIGMAR1
SCHEMBL11957792 0.83 CNR1 (0.47) SIGMAR1
SCHEMBL11958440 0.82 MDM2 (0.52) FAAHCCR8KCNH2MGLL

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 ALDH1A1 1520/4885LMNA 4038/4885FAAH 17/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 ALDH1A1 1520/4885LMNA 4038/4885FAAH 17/4885

“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.