SCHEMBL18547268

SCHEMBL18547268

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.44
▸ STS P08842 2/20 0.42
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OGFRL1 Q5TC84 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NR3C1 P04150 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL18547342 0.92 CNR1 (0.40) CNR1STSOPRM1OPRD1OGFRL1
SCHEMBL18547774 0.91 CNR1 (0.44) CNR1STSOPRM1OPRD1OGFRL1
SCHEMBL18547101 0.88 P2RX3 (0.46) CNR1STSMEN1KMT2ANPSR1
SCHEMBL18547274 0.86 OPRM1 (0.41) CNR1OPRM1OPRD1OGFRL1KMT2A
SCHEMBL20679656 0.86 OPRM1 (0.41) CNR1OPRM1OPRD1OGFRL1KMT2A
SCHEMBL18547273 0.86 OPRM1 (0.41) CNR1OPRM1OPRD1OGFRL1KMT2A
SCHEMBL18547068 0.85 CNR1 (0.52) CNR1STSOPRM1OPRD1OGFRL1
SCHEMBL18547271 0.84 ALDH1A1 (0.41) CNR1STSOPRM1OPRD1OGFRL1
SCHEMBL18547120 0.83 CNR1 (0.39) CNR1STSOPRM1OPRD1OGFRL1
SCHEMBL18547700 0.83 CNR1 (0.40) CNR1STSMEN1KMT2ANPSR1

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 1/4885STS 3409/4885OPRM1 479/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885STS 3454/4885OPRM1 471/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CNR1 1/4885STS 3454/4885OPRM1 471/4885

“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.

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