SCHEMBL18547282

SCHEMBL18547282

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(CC3(O)CCNCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MCHR1 Q99705 3/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL18547535 0.90 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547130 0.86 KCNH2 (0.40) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547700 0.86 CNR1 (0.40) LMNASMN1; SMN2MAPTHSD17B10
SCHEMBL18547291 0.85 CNR1 (0.39) —
SCHEMBL18547364 0.82 JAK2 (0.44) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547185 0.79 CNR2 (0.46) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL20679677 0.79 LMNA (0.40) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547002 0.78 P2RX3 (0.45) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547456 0.78 NPC1 (0.44) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18576589 0.78 CNR1 (0.40) MCHR1SOS1

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 NPC1 230/4885RAB9A 2584/4885LMNA 3811/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 NPC1 230/4885RAB9A 2538/4885LMNA 3751/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 NPC1 230/4885RAB9A 2538/4885LMNA 3751/4885

“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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