SCHEMBL18547178

SCHEMBL18547178

Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3nc(C4CC4)n(CC4CCNCC4)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ALOX5 P09917 2/20 0.41
▸ CNR1 P21554 8/20 0.40
▸ MCHR1 Q99705 2/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPY1R P25929 1/20 0.38

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
SCHEMBL18546934 0.87 CNR2 (0.51) ALOX5CNR1MCHR1CNR2ALDH1A1
SCHEMBL18547289 0.83 CNR1 (0.47) CNR1CNR2
SCHEMBL18546978 0.82 CYP11B1 (0.41) SOS1CNR1CNR2
SCHEMBL18576589 0.82 CNR1 (0.40) SOS1CNR1MCHR1CNR2
SCHEMBL18576450 0.81 CNR2 (0.42) ALOX5CNR1MCHR1CNR2
SCHEMBL18547399 0.81 CNR1 (0.58) CNR1CNR2
SCHEMBL18547397 0.80 JAK2 (0.46) CNR1MCHR1
SCHEMBL18546999 0.79 CYP11B1 (0.39) CNR1CNR2
SCHEMBL18547060 0.79 CNR1 (0.57) CNR1CNR2
SCHEMBL18547548 0.79 CNR1 (0.60) CNR1CNR2ALDH1A1GAA

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 SOS1 2192/4885KCNH2 2349/4885ALOX5 2550/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 SOS1 2213/4885KCNH2 2342/4885ALOX5 2591/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 SOS1 2213/4885KCNH2 2342/4885ALOX5 2591/4885

“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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