SCHEMBL3159348

SCHEMBL3159348

Nc1cc(OCC2CCCN2)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47

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
SCHEMBL12996857 0.90 LTA4H (0.63) LTA4HCHRNB4CHRNA3
SCHEMBL12996852 0.90 LTA4H (0.63) LTA4HCHRNB4CHRNA3
SCHEMBL17676942 0.90 LTA4H (0.63) LTA4HCHRNB4CHRNA3
SCHEMBL5262320 0.87 LTA4H (0.43) LTA4H
SCHEMBL464554 0.84 LTA4H (0.56) LTA4HCHRNB4CHRNA3
SCHEMBL3159343 0.82 LTA4H (0.51) LTA4HCHRNB4CHRNA3
SCHEMBL4969248 0.79 LTA4H (0.51) LTA4HCHRNB4CHRNA3
SCHEMBL445751 0.79 LTA4H (0.51) LTA4HCHRNB4CHRNA3
SCHEMBL3151853 0.79 LTA4H (0.51) LTA4HCHRNB4CHRNA3
SCHEMBL8435051 0.79 CHRNB4 (0.66) LTA4HCHRNB4CHRNA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 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 (2 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LTA4H 500/4885CHRNB4 3031/4885CHRNA3 2615/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC LTA4H 500/4885CHRNB4 3031/4885CHRNA3 2615/4885

“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.