SCHEMBL11957725

SCHEMBL11957725

O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
EIF4A3 P38919 7/20 0.48
HSP90AA1 P07900 1/20 0.47
CNR1 P21554 1/20 0.46
MGLL Q99685 1/20 0.45
HSD11B1 P28845 1/20 0.44
CCR1 P32246 1/20 0.44
PROKR1 Q8TCW9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 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
SCHEMBL11958708 0.94 LMNA (0.51) MDM2KMT2AMEN1EIF4A3HSP90AA1
SCHEMBL11957975 0.86 MDM2 (0.51) MDM2KMT2AMEN1EIF4A3CNR1
SCHEMBL11957724 0.84 ALDH1A1 (0.59) MDM2KMT2AMEN1EIF4A3MGLL
SCHEMBL11958707 0.79 LMNA (0.54) MDM2EIF4A3MGLLALDH1A1LMNA
SCHEMBL11958547 0.77 MDM2 (0.52) MDM2EIF4A3HSP90AA1CNR1MGLL
SCHEMBL11957919 0.77 MDM2 (0.56) MDM2EIF4A3CNR1
SCHEMBL11957972 0.75 MDM2 (0.51) MDM2EIF4A3HSP90AA1CNR1MGLL
SCHEMBL11958564 0.75 MDM2 (0.52) MDM2EIF4A3MGLLALDH1A1LMNA
SCHEMBL13699622 0.74 HPGD (0.45) MDM2KMT2AMEN1EIF4A3HSP90AA1
SCHEMBL11958955 0.74 MDM2 (0.48) MDM2EIF4A3HSP90AA1MGLLHSD11B1

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 MDM2 4116/4885KMT2A 1954/4885MEN1 2811/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 MDM2 4116/4885KMT2A 1954/4885MEN1 2811/4885

“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.