SCHEMBL18547360

SCHEMBL18547360

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(N)c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.53
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
STS P08842 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CNR2 P34972 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HDAC1 Q13547 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC2 Q92769 1/20 0.40
BRD4 O60885 1/20 0.40
DYRK1A Q13627 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
SCHEMBL18546980 0.91 CNR1 (0.43) CNR1ALDH1A1HTTNPC1MAPT
SCHEMBL18547494 0.86 KDM4E (0.46) CNR1STSMEN1KMT2ABRD4
SCHEMBL18547298 0.86 CNR1 (0.51) CNR1ALDH1A1HTTNPC1MAPT
SCHEMBL4635461 0.86 ALDH1A1 (0.56) CNR1ALDH1A1HTTNPC1MAPT
SCHEMBL18547294 0.86 CNR1 (0.51) CNR1ALDH1A1HTTNPC1MAPT
SCHEMBL18547209 0.85 CACNB4 (0.41) CNR1L3MBTL1KMT2AHDAC1HDAC2
SCHEMBL20679657 0.85 CACNB4 (0.41) CNR1L3MBTL1KMT2AHDAC1HDAC2
SCHEMBL18547208 0.85 CACNB4 (0.41) CNR1L3MBTL1KMT2AHDAC1HDAC2
SCHEMBL22588119 0.82 ALDH1A1 (0.52) CNR1ALDH1A1HTTNPC1MAPT
SCHEMBL18547057 0.81 CNR1 (0.51) CNR1CNR2

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 528/4885HTT 3222/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885ALDH1A1 517/4885HTT 3283/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CNR1 1/4885ALDH1A1 517/4885HTT 3283/4885

“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.