SCHEMBL3879141

SCHEMBL3879141

CCCCn1nnc2ccc(C(c3ccc(Cl)cc3)n3cncn3)cc21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.72
CYP11B1 P15538 1/20 0.72
SLC9A1 P19634 3/20 0.43

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
SCHEMBL12189214 0.85 CYP19A1 (0.71) CYP19A1CYP11B1
SCHEMBL3873165 0.85 CYP19A1 (0.71) CYP19A1CYP11B1
SCHEMBL3872062 0.84 CYP19A1 (0.66) CYP19A1CYP11B1
Rac-Vorozole SCHEMBL29606650 0.84 CYP19A1 (1.00) CYP19A1CYP11B1
Vorozole SCHEMBL4554 0.84 CYP19A1 (1.00) CYP19A1CYP11B1
Rac-Vorozole SCHEMBL13223107 0.84 CYP19A1 (1.00) CYP19A1CYP11B1
Rac-Vorozole SCHEMBL1552681 0.84 CYP19A1 (1.00) CYP19A1CYP11B1
Vorozole SCHEMBL29363602 0.84 CYP19A1 (1.00) CYP19A1CYP11B1
[N-Methyl-11C]Vorozole SCHEMBL12171619 0.84 CYP19A1 (1.00) CYP19A1CYP11B1
SCHEMBL3873803 0.82 CYP19A1 (0.67) CYP19A1CYP11B1SLC9A1

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 CYP19A1 1108/4885CYP11B1 362/4885SLC9A1 1898/4885

“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.