SCHEMBL3873316

SCHEMBL3873316

Cn1nnc2ccc(C(c3ccc(Cl)cc3)c3nccs3)cc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.49
CYP19A1 P11511 3/20 0.49
CYP11B1 P15538 1/20 0.49
CNR2 P34972 4/20 0.46
KEAP1 Q14145 2/20 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
SCHEMBL3873020 0.76 CYP19A1 (0.59) CNR1CYP19A1CYP11B1CNR2KEAP1
SCHEMBL3873345 0.75 CYP19A1 (0.59) CYP19A1CYP11B1KEAP1
SCHEMBL9681284 0.74 CYP19A1 (0.49) CNR1CYP19A1CYP11B1CNR2KEAP1
SCHEMBL8884360 0.74 CYP19A1 (0.60) CYP19A1CYP11B1KEAP1
SCHEMBL9026711 0.73 CYP19A1 (0.58) CYP19A1CYP11B1KEAP1
SCHEMBL14092714 0.73 CNR1 (0.41) CNR1CYP19A1CYP11B1KEAP1
SCHEMBL18546891 0.73 CNR1 (0.49) CNR1CNR2
SCHEMBL17557655 0.72 CNR1 (0.63) CNR1CNR2
Bromide SCHEMBL8884686 0.72 CYP19A1 (0.57) CYP19A1CYP11B1KEAP1
SCHEMBL18547458 0.72 CNR1 (0.45) CNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874304-B1 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-07-15 EP claimed
US-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 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 (1 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-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists CNR1, CNR2, HTR3C CNR1 1/4885CYP19A1 1108/4885CYP11B1 362/4885

“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.