SCHEMBL3873345

SCHEMBL3873345

Cn1nnc2ccc(C(c3ccc(Cl)cc3)c3cccnc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.59
CYP11B1 P15538 2/20 0.53
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
KEAP1 Q14145 5/20 0.41
CYP3A4 P08684 3/20 0.38
CYP3A5 P20815 3/20 0.38
NFE2L2 Q16236 2/20 0.37
SLC9A1 P19634 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
SCHEMBL3873020 0.86 CYP19A1 (0.59) CYP19A1CYP11B1SLC6A4KEAP1SLC9A1
SCHEMBL10674497 0.77 CYP19A1 (1.00) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL3873316 0.75 CNR1 (0.49) CYP19A1CYP11B1KEAP1
SCHEMBL8884360 0.75 CYP19A1 (0.60) CYP19A1CYP11B1SLC6A4KEAP1NFE2L2
SCHEMBL9026711 0.74 CYP19A1 (0.58) CYP19A1CYP11B1SLC6A4KEAP1SLC9A1
Bromide SCHEMBL8884686 0.73 CYP19A1 (0.57) CYP19A1CYP11B1SLC6A4KEAP1NFE2L2
SCHEMBL9681284 0.73 CYP19A1 (0.49) CYP19A1CYP11B1SLC6A4KEAP1NFE2L2
SCHEMBL9523659 0.72 CYP19A1 (0.50) CYP19A1CYP11B1SLC6A4KEAP1CYP3A4
SCHEMBL9523312 0.71 CYP19A1 (0.65) CYP19A1CYP11B1CYP3A4
SCHEMBL8714052 0.71 CYP19A1 (0.55) CYP19A1CYP11B1SLC6A2SLC6A4KEAP1

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 8 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 claimed
EP-1874304-A2 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-09 EP claimed
WO-2006117307-A2 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-09 WO claimed
EP-1874304-B1 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-07-15 EP disclosed
US-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
EP-1874304-A2 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-09 EP disclosed
WO-2006117307-A2 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-09 WO 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 362/4885CFTR 2868/4885

“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.