SCHEMBL18547443

SCHEMBL18547443

CC(C)(C)OC(=O)N[C@H]1CC[C@H](n2c(C3CC3)nc3ccc(C(C(=O)O)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OGFRL1 Q5TC84 1/20 0.39
▸ CCRL2 O00421 1/20 0.38
▸ CACNB4 O00305 1/20 0.38
▸ CACNA1A O00555 1/20 0.38
▸ CACNA1G O43497 1/20 0.38
▸ CACNG3 O60359 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1H O95180 1/20 0.38
▸ CACNB3 P54284 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNG7 P62955 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNB1 Q02641 1/20 0.38
▸ CACNG1 Q06432 1/20 0.38
▸ CACNB2 Q08289 1/20 0.38
▸ CACNA1S Q13698 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
SCHEMBL18547440 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1OGFRL1CCRL2
SCHEMBL20679665 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1OGFRL1CCRL2
SCHEMBL18547273 0.92 OPRM1 (0.41) OPRM1OPRD1OPRK1OGFRL1CCRL2
SCHEMBL20679656 0.92 OPRM1 (0.41) OPRM1OPRD1OPRK1OGFRL1CCRL2
SCHEMBL18547274 0.92 OPRM1 (0.41) OPRM1OPRD1OPRK1OGFRL1CCRL2
SCHEMBL18547256 0.84 CNR1 (0.44) OPRM1OPRD1OPRK1OGFRL1CACNB4
SCHEMBL20679672 0.84 CNR1 (0.44) OPRM1OPRD1OPRK1OGFRL1CACNB4
SCHEMBL18547257 0.84 CNR1 (0.44) OPRM1OPRD1OPRK1OGFRL1CACNB4
SCHEMBL18547774 0.84 CNR1 (0.44) OPRM1OPRD1OGFRL1KMT2ACNR1
SCHEMBL18547120 0.83 CNR1 (0.39) OPRM1OPRD1OPRK1OGFRL1KMT2A

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 OPRM1 479/4885OPRD1 177/4885OPRK1 211/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 OPRM1 471/4885OPRD1 175/4885OPRK1 210/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 OPRM1 471/4885OPRD1 175/4885OPRK1 210/4885

“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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