SCHEMBL18547397

SCHEMBL18547397

OCCn1c(C2CC2)nc2ccc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.46
▸ JAK1 P23458 2/20 0.46
▸ TYK2 P29597 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ CNR1 P21554 14/20 0.45
▸ MCHR1 Q99705 1/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL18547059 0.86 JAK2 (0.47) JAK2JAK1TYK2JAK3CNR1
SCHEMBL18547403 0.85 MCHR1 (0.45) CNR1MCHR1
SCHEMBL18575794 0.84 CNR1 (0.48) CNR1MCHR1
SCHEMBL18562587 0.84 CNR1 (0.48) CNR1MCHR1
Hydrochloric Acid SCHEMBL18546996 0.83 CNR1 (0.47) CNR1MCHR1
SCHEMBL18547218 0.83 MCHR1 (0.43) CNR1MCHR1
SCHEMBL18547329 0.83 CNR1 (0.43) CNR1
SCHEMBL18576135 0.83 MCHR1 (0.43) CNR1MCHR1
SCHEMBL18547587 0.82 CNR1 (0.42) CNR1
SCHEMBL18562610 0.82 HRH1 (0.50) MCHR1KMT2A

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 6 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-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
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 JAK2 966/4885JAK1 1437/4885TYK2 4182/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 JAK2 999/4885JAK1 1481/4885TYK2 4212/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 JAK2 999/4885JAK1 1481/4885TYK2 4212/4885

“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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