SCHEMBL18547294

SCHEMBL18547294

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
ALDH1A1 P00352 4/20 0.45
STS P08842 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DCTPP1 Q9H773 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR1D1 P20393 2/20 0.39
CNR2 P34972 2/20 0.39
BRD4 O60885 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
SCHEMBL18546903 0.91 CNR1 (0.41) CNR1ALDH1A1STSMAPTMAPK1
SCHEMBL18547798 0.87 KDM4E (0.44) CNR1ALDH1A1STSMAPTMEN1
SCHEMBL4635973 0.87 ALDH1A1 (0.52) CNR1ALDH1A1STSMAPTNPC1
SCHEMBL18547464 0.86 ALDH1A1 (0.42) CNR1ALDH1A1MAPTNPC1MAPK1
SCHEMBL18547463 0.86 ALDH1A1 (0.42) CNR1ALDH1A1MAPTNPC1MAPK1
SCHEMBL18547360 0.86 CNR1 (0.53) CNR1ALDH1A1STSMAPTNPC1
SCHEMBL22605777 0.84 MAPK1 (0.48) CNR1ALDH1A1STSMAPTNPC1
SCHEMBL18547298 0.83 CNR1 (0.51) CNR1ALDH1A1STSMAPTNPC1
SCHEMBL18547214 0.82 CNR1 (0.48) CNR1CNR2
SCHEMBL18547778 0.82 DCTPP1 (0.42) ALDH1A1MAPTMAPK1HTTDCTPP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO disclosed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 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 (3 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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885ALDH1A1 528/4885STS 3409/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885ALDH1A1 517/4885STS 3454/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CNR1 1/4885ALDH1A1 517/4885STS 3454/4885

“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.