SCHEMBL4098323

SCHEMBL4098323

CC(=O)N1CCC[C@@H]1COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 7/20 0.52
CHRNA3 P32297 7/20 0.52
TACR1 P25103 1/20 0.42
FAAH O00519 4/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNB1 P11230 2/20 0.40
CHRNB3 Q05901 2/20 0.40
CA2 P00918 2/20 0.39
CHRNA4 P43681 1/20 0.39
CNR2 P34972 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
SCHEMBL6225147 1.00 CHRNB4 (0.52) CHRNB4CHRNA3TACR1FAAHCHRNB2
SCHEMBL447282 0.88 CHRNB4 (0.48) CHRNB4CHRNA3FAAH
SCHEMBL1264856 0.88 CHRNB4 (0.48) CHRNB4CHRNA3FAAH
SCHEMBL446091 0.88 CHRNB4 (0.48) CHRNB4CHRNA3FAAH
SCHEMBL4364278 0.85 CHRNB4 (0.71) CHRNB4CHRNA3FAAHCHRNB2CHRNB1
SCHEMBL450269 0.85 CHRNB4 (0.71) CHRNB4CHRNA3FAAHCHRNB2CHRNB1
SCHEMBL4967754 0.85 CHRNB4 (0.71) CHRNB4CHRNA3FAAHCHRNB2CHRNB1
SCHEMBL6224599 0.83 CHRNB4 (0.43) CHRNB4CHRNA3TACR1CHRNB2CHRNB1
SCHEMBL3147108 0.83 CHRNB4 (0.43) CHRNB4CHRNA3TACR1CHRNB2CHRNB1
SCHEMBL6215959 0.81 CHRNB4 (0.42) CHRNB4CHRNA3

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-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CHRNB4 3877/4885CHRNA3 3546/4885TACR1 602/4885

“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.