SCHEMBL3147108

SCHEMBL3147108

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
CHRNB1 P11230 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNB3 Q05901 2/20 0.43
TACR1 P25103 1/20 0.42
CNR2 P34972 1/20 0.41
ALOX5AP P20292 1/20 0.40
CA2 P00918 2/20 0.39
RBP4 P02753 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HCRTR2 O43614 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
SCHEMBL6224599 1.00 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5259527 0.90 CHRNB1 (0.41) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL444388 0.87 ALOX5AP (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL447803 0.87 ALOX5AP (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL444389 0.87 ALOX5AP (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6225147 0.83 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL4098323 0.83 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL450027 0.82 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL447762 0.82 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL447049 0.82 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP disclosed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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 (8 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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885CHRNB1 3200/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CHRNB4 3031/4885CHRNA3 2615/4885CHRNB1 1732/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885CHRNB1 3200/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR CHRNB4 4141/4885CHRNA3 4231/4885CHRNB1 3200/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 CHRNB4 3520/4885CHRNA3 3218/4885CHRNB1 2269/4885
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB CHRNB4 3386/4885CHRNA3 2142/4885CHRNB1 1707/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CHRNB4 3031/4885CHRNA3 2615/4885CHRNB1 1732/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CHRNB4 3877/4885CHRNA3 3546/4885CHRNB1 2325/4885

“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.