SCHEMBL18547130

SCHEMBL18547130

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(CC3CCNCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPY1R P25929 2/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ SOS1 Q07889 1/20 0.39
▸ MCHR1 Q99705 2/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ JAK1 P23458 3/20 0.38
▸ TYK2 P29597 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL18547185 0.89 CNR2 (0.46) LMNANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18547002 0.88 P2RX3 (0.45) LMNANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18547282 0.86 NPC1 (0.38) KCNH2LMNANPC1MAPTRAB9A
SCHEMBL18562613 0.86 P2RX3 (0.40) LMNANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18547364 0.85 JAK2 (0.44) LMNANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18547398 0.85 CNR1 (0.42) P2RX3P2RX2CNR2
SCHEMBL18547101 0.85 P2RX3 (0.46) LMNAMAPTSMN1; SMN2P2RX3P2RX2
SCHEMBL18576327 0.83 P2RX3 (0.38) LMNANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL20679677 0.82 LMNA (0.40) KCNH2LMNANPC1MAPTRAB9A
SCHEMBL18547319 0.82 CNR1 (0.41) P2RX3P2RX2CNR2

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 KCNH2 2349/4885LMNA 3811/4885NPC1 230/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 KCNH2 2342/4885LMNA 3751/4885NPC1 230/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 KCNH2 2342/4885LMNA 3751/4885NPC1 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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