SCHEMBL18547281

SCHEMBL18547281

COC(=O)C1CCC(n2c(C3CC3)nc3ccc(C(C(=O)OC)(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.41
▸ LMNA P02545 4/20 0.39
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ ACSS2 Q9NR19 1/20 0.35
▸ MET P08581 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ CYP11B2 P19099 2/20 0.33

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
SCHEMBL20679656 0.84 OPRM1 (0.41) LMNAOPRM1OPRD1OPRK1OGFRL1
SCHEMBL18547274 0.84 OPRM1 (0.41) LMNAOPRM1OPRD1OPRK1OGFRL1
SCHEMBL18547273 0.84 OPRM1 (0.41) LMNAOPRM1OPRD1OPRK1OGFRL1
SCHEMBL18547268 0.83 CNR1 (0.44) LMNAOPRM1OPRD1OGFRL1SMN1; SMN2
SCHEMBL18547342 0.82 CNR1 (0.40) LMNAOPRM1OPRD1OPRK1OGFRL1
SCHEMBL18547278 0.82 CYP11B1 (0.37) ALKLMNASMN1; SMN2NPC1RAB9A
SCHEMBL18547364 0.79 JAK2 (0.44) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18547185 0.76 CNR2 (0.46) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL20679677 0.76 LMNA (0.40) LMNAOPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL18547130 0.76 KCNH2 (0.40) LMNASMN1; SMN2NPC1RAB9AMAPT

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 3 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
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 ALK 1234/4885LMNA 3811/4885OPRM1 479/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 ALK 1255/4885LMNA 3751/4885OPRM1 471/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 ALK 1255/4885LMNA 3751/4885OPRM1 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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