SCHEMBL11957751

SCHEMBL11957751

COc1cccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
TSHR P16473 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
DRD4 P21917 3/20 0.46
GAA P10253 2/20 0.45
MCHR1 Q99705 1/20 0.44
DRD2 P14416 2/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TACR1 P25103 1/20 0.42
CNR1 P21554 1/20 0.42
ALDH3A1 P30838 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
SCHEMBL11958118 0.90 SIGMAR1 (0.53) SIGMAR1DRD4MCHR1DRD2
SCHEMBL11980392 0.90 SIGMAR1 (0.53) SIGMAR1DRD4MCHR1DRD2
SCHEMBL11957753 0.90 DRD4 (0.52) SIGMAR1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL11957785 0.89 ALDH1A1 (0.52) SIGMAR1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL11957754 0.88 SIGMAR1 (0.50) SIGMAR1MAPTALDH1A1KDM4EMEN1
SCHEMBL13407049 0.87 CNR1 (0.46) SIGMAR1TSHRMAPTALDH1A1KDM4E
SCHEMBL11957717 0.86 SIGMAR1 (0.51) SIGMAR1DRD4DRD2TACR1CNR1
SCHEMBL11957991 0.85 CNR1 (0.52) SIGMAR1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL11957740 0.85 CNR1 (0.48) SIGMAR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11957738 0.85 CNR1 (0.44) SIGMAR1ALDH1A1KDM4EHTTDRD4

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 SIGMAR1 114/4885TSHR 913/4885MAPT 1481/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 SIGMAR1 114/4885TSHR 913/4885MAPT 1481/4885

“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.