Sugi Predict

Sugi Predict / Compounds / SCHEMBL18546934

SCHEMBL18546934

SCHEMBL18546934

Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3nc(C4CC4)n(CC4CCOCC4)c3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.51
▸ ALOX5 P09917 2/20 0.46
▸ MCHR1 Q99705 2/20 0.39
▸ BRD4 O60885 3/20 0.39
▸ BAZ2A Q9UIF9 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CNR1 P21554 5/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ TAF1 P21675 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRPF1 P55201 1/20 0.37
▸ EP300 Q09472 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ CECR2 Q9BXF3 1/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL18547178 0.87 SOS1 (0.44) CNR2ALOX5MCHR1ALDH1A1GAA
SCHEMBL18547289 0.83 CNR1 (0.47) CNR2CNR1NPC1LMNAMAPT
SCHEMBL18547172 0.82 LRRK2 (0.42) CNR2CNR1LRRK2
SCHEMBL18576450 0.81 CNR2 (0.42) CNR2ALOX5MCHR1CNR1
SCHEMBL18547399 0.81 CNR1 (0.58) CNR2CNR1
SCHEMBL18547060 0.80 CNR1 (0.57) CNR2CNR1
SCHEMBL18547397 0.80 JAK2 (0.46) MCHR1CNR1
SCHEMBL18547493 0.79 CNR2 (0.49) CNR2ALOX5MCHR1BRD4BAZ2A
SCHEMBL18547548 0.79 CNR1 (0.60) CNR2ALDH1A1GAACNR1LMNA
SCHEMBL18547251 0.78 CNR1 (0.56) CNR2CNR1

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 7 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
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 CNR2 3/4885ALOX5 2550/4885MCHR1 277/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR2 3/4885ALOX5 2591/4885MCHR1 275/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CNR2 3/4885ALOX5 2591/4885MCHR1 275/4885

“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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