SCHEMBL11957768

SCHEMBL11957768

FC(F)(F)c1ccc(CN2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
MDM2 Q00987 4/20 0.48
OPRL1 P41146 2/20 0.43
CACNA1G O43497 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
TACR1 P25103 4/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
OPRM1 P35372 1/20 0.38

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
SCHEMBL11957992 0.94 CNR1 (0.53) CNR1MDM2OPRL1CACNA1GKDM4E
SCHEMBL11957767 0.90 MEN1 (0.46) CNR1MDM2KDM4EALDH1A1LMNA
SCHEMBL11957741 0.88 CNR1 (0.54) CNR1MDM2DRD4
SCHEMBL11958325 0.87 CNR1 (0.62) CNR1MDM2KDM4EALDH1A1DRD4
SCHEMBL11957716 0.87 CNR1 (0.62) CNR1MDM2KDM4EALDH1A1DRD4
SCHEMBL14787416 0.85 CNR1 (0.49) CNR1MDM2CACNA1GDRD4
SCHEMBL11958322 0.85 LSS (0.48) CNR1MDM2KDM4EDRD4CASP1
SCHEMBL11980141 0.85 CNR1 (0.49) CNR1MDM2KDM4EALDH1A1DRD4
SCHEMBL11957773 0.85 CNR1 (0.49) CNR1MDM2CACNA1GDRD4
SCHEMBL11957742 0.85 CNR1 (0.49) CNR1MDM2DRD4

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 CNR1 1/4885MDM2 4116/4885OPRL1 5/4885

“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.