SCHEMBL18547002

SCHEMBL18547002

COC(=O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(CC3CCN(C(=O)O)CC3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 6/20 0.45
▸ P2RX2 Q9UBL9 2/20 0.45
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MCHR1 Q99705 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18547101 0.90 P2RX3 (0.46) P2RX3P2RX2LMNASMN1; SMN2MAPT
SCHEMBL18562613 0.88 P2RX3 (0.40) P2RX3P2RX2NPC1RAB9ALMNA
SCHEMBL18547130 0.88 KCNH2 (0.40) P2RX3P2RX2NPC1RAB9ALMNA
SCHEMBL18547185 0.88 CNR2 (0.46) P2RX3P2RX2NPC1RAB9ALMNA
SCHEMBL18547398 0.87 CNR1 (0.42) P2RX3P2RX2CNR1
SCHEMBL18576327 0.85 P2RX3 (0.38) P2RX3P2RX2NPC1RAB9ALMNA
SCHEMBL18547364 0.84 JAK2 (0.44) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18547319 0.84 CNR1 (0.41) P2RX3P2RX2CNR1
SCHEMBL20679677 0.82 LMNA (0.40) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL18562614 0.81 LMNA (0.40) P2RX3P2RX2NPC1RAB9ALMNA

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 P2RX3 69/4885P2RX2 94/4885NPC1 230/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 P2RX3 70/4885P2RX2 93/4885NPC1 230/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 P2RX3 70/4885P2RX2 93/4885NPC1 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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