SCHEMBL18547733

SCHEMBL18547733

Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3nc(C4CC4)n(C4CNC4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CNR1 P21554 18/20 0.39
CNR2 P34972 4/20 0.38
CYP11B2 P19099 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
SCHEMBL18546978 0.89 CYP11B1 (0.41) CYP11B1CNR1CNR2CYP11B2
SCHEMBL18546999 0.85 CYP11B1 (0.39) CYP11B1CNR1CNR2CYP11B2
SCHEMBL18547174 0.85 CYP11B1 (0.43) CYP11B1CNR1CNR2CYP11B2
SCHEMBL18547172 0.85 LRRK2 (0.42) CYP11B1CNR1CNR2CYP11B2
SCHEMBL18547448 0.85 CYP11B1 (0.43) CYP11B1CNR1CNR2CYP11B2
SCHEMBL18547384 0.84 CYP11B1 (0.38) CYP11B1CNR1CNR2CYP11B2
SCHEMBL18547104 0.81 CNR1 (0.45) CYP11B1CNR1CNR2
SCHEMBL18576304 0.80 CYP11B1 (0.40) CYP11B1CNR1CNR2CYP11B2
SCHEMBL20689730 0.80 CNR1 (0.45) CYP11B1CNR1CNR2
SCHEMBL18547332 0.80 CNR1 (0.45) CYP11B1CNR1CNR2

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 CYP11B1 123/4885CNR1 1/4885CNR2 3/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CYP11B1 120/4885CNR1 1/4885CNR2 3/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CYP11B1 120/4885CNR1 1/4885CNR2 3/4885

“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.