SCHEMBL11957767

SCHEMBL11957767

FC(F)(F)c1cccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MDM2 Q00987 2/20 0.45
CNR1 P21554 1/20 0.44
TACR1 P25103 4/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
SCN1A P35498 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 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
SCHEMBL11957768 0.90 CNR1 (0.49) KDM4EALDH1A1MDM2CNR1TACR1
SCHEMBL11957754 0.88 SIGMAR1 (0.50) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL11957740 0.87 CNR1 (0.48) MEN1KMT2AALDH1A1MDM2CNR1
SCHEMBL11957717 0.86 SIGMAR1 (0.51) MDM2CNR1TACR1
SCHEMBL11957992 0.86 CNR1 (0.53) KDM4EALDH1A1MDM2CNR1TACR1
SCHEMBL11957738 0.85 CNR1 (0.44) KDM4EALDH1A1MDM2CNR1LMNA
SCHEMBL11957784 0.84 DRD2 (0.46) KDM4EALDH1A1MDM2CNR1
SCHEMBL11958325 0.83 CNR1 (0.62) KDM4EALDH1A1MDM2CNR1
SCHEMBL11957716 0.83 CNR1 (0.62) KDM4EALDH1A1MDM2CNR1
SCHEMBL11957744 0.82 CNR1 (0.42) MDM2CNR1

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 MEN1 2811/4885KMT2A 1954/4885KDM4E 2473/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 MEN1 2811/4885KMT2A 1954/4885KDM4E 2473/4885

“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.