SCHEMBL4367286

SCHEMBL4367286

O=[N+]([O-])c1ccc(C(F)(F)C(F)(F)F)c(OC[C@H]2CCCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.43
CHRNA3 P32297 4/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP19A1 P11511 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL4967708 1.00 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4CYP19A1
SCHEMBL4365460 1.00 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4CYP19A1
SCHEMBL4966862 0.91 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CYP19A1
SCHEMBL5429974 0.91 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4CYP19A1
SCHEMBL445361 0.82 CYP19A1 (0.45) CYP19A1
SCHEMBL4362945 0.81 CHRNA3 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL4362951 0.81 CHRNA3 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL12122986 0.81 CHRNB2 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL7615460 0.81 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CYP19A1
SCHEMBL7615451 0.81 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNA4CYP19A1

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS CHRNB4 4751/4885CHRNA3 4628/4885CHRNB2 4743/4885

“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.