SCHEMBL4375016

SCHEMBL4375016

CN1CCC[C@@H]1COc1cc([N+](=O)[O-])ccc1C(F)(F)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 8/20 0.61
CHRNA3 P32297 8/20 0.61
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 1/20 0.51
CHRNB1 P11230 1/20 0.51
CHRNB3 Q05901 1/20 0.51
UTS2R Q9UKP6 2/20 0.45
KDR P35968 1/20 0.44

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
SCHEMBL4375014 1.00 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL5134516 1.00 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4966709 0.91 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL4966717 0.91 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL1655800 0.83 ACHE (0.48) CHRNB4CHRNA3
SCHEMBL4977559 0.83 ALOX5AP (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4370059 0.83 ALOX5AP (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4374846 0.83 ALOX5AP (0.43) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4368887 0.82 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1
SCHEMBL5420654 0.82 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNB1

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 2 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
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 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-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.