SCHEMBL18547019

SCHEMBL18547019

CCOC(=O)N1C2CCC1CC(Nc1cc(C(c3ccc(Cl)cc3)c3nccs3)ccc1[N+](=O)[O-])C2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.54
CNR2 P34972 9/20 0.40
CYP2C19 P33261 1/20 0.39
CHRM1 P11229 2/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL20679664 0.88 CNR1 (0.69) CNR1CNR2CYP2C19
SCHEMBL18547331 0.88 CNR1 (0.69) CNR1CNR2CYP2C19
SCHEMBL18546957 0.88 CNR1 (0.56) CNR1CNR2CYP2C19CHRM1
SCHEMBL18547488 0.81 CNR1 (0.54) CNR1CNR2CYP2C19
SCHEMBL18547525 0.80 CHRM1 (0.40) CHRM1GPR119
SCHEMBL18554615 0.80 CNR1 (0.54) CNR1CNR2CYP2C19
SCHEMBL18554614 0.80 CNR1 (0.54) CNR1CNR2CYP2C19
SCHEMBL18547179 0.76 CNR1 (0.48) CNR1CNR2
SCHEMBL18547352 0.76 SMN1; SMN2 (0.54) CNR1CNR2
SCHEMBL18547370 0.76 CNR1 (0.72) CNR1CNR2CYP2C19

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 CNR1 1/4885CNR2 3/4885CYP2C19 503/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885CNR2 3/4885CYP2C19 487/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 CNR1 1/4885CNR2 3/4885CYP2C19 487/4885

“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.