SCHEMBL18547278

SCHEMBL18547278

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.37
▸ SPR P35270 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ACSS2 Q9NR19 1/20 0.35
▸ CYP11B2 P19099 3/20 0.35
▸ VCP P55072 2/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ MCHR1 Q99705 1/20 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
SCHEMBL18562561 0.82 CNR1 (0.46) —
SCHEMBL18547440 0.82 OPRM1 (0.39) MCHR1
SCHEMBL20679665 0.82 OPRM1 (0.39) MCHR1
SCHEMBL18547443 0.82 OPRM1 (0.39) MCHR1
SCHEMBL18547281 0.82 ALK (0.41) CYP11B1NPC1RAB9AMAPTLMNA
SCHEMBL18547774 0.81 CNR1 (0.44) MAPTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL18547792 0.81 CNR1 (0.45) —
SCHEMBL18547104 0.81 CNR1 (0.45) CYP11B1
Trifluoroacetic Acid SCHEMBL18547560 0.81 CNR1 (0.41) CYP11B1
SCHEMBL18547120 0.80 CNR1 (0.39) LMNAP2RX3

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 CYP11B1 123/4885SPR 4716/4885NPC1 230/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CYP11B1 120/4885SPR 4709/4885NPC1 230/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CYP11B1 120/4885SPR 4709/4885NPC1 230/4885

“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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