SCHEMBL3244065

SCHEMBL3244065

CC(N)CCCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HRH1 P35367 2/20 0.57
CHRNA7 P36544 2/20 0.55
TBXAS1 P24557 7/20 0.49
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 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
SCHEMBL8975220 1.00 CYP2A6 (0.61) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL8975209 1.00 CYP2A6 (0.61) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL4958248 0.95 TDP1 (0.62) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL22229849 0.89 CHRNA7 (0.58) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL7474917 0.89 CHRNA7 (0.58) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL9519417 0.87 CYP2A6 (0.57) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL9519412 0.87 CYP2A6 (0.57) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL12197971 0.86 TDP1 (0.62) CYP2A6TDP1L3MBTL1HRH1CHRNA7
SCHEMBL3927981 0.86 CYP2A6 (0.65) CYP2A6TDP1L3MBTL1HRH1CHRNA7
Bromide SCHEMBL18838899 0.84 TDP1 (0.61) CYP2A6TDP1L3MBTL1HRH1CHRNA7

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9551018-B2 Process for the preparation of optically active chiral amines LONZA AG (CH) 2017-01-24 US claimed
US-20150284752-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CHIRAL AMINES LONZA AG (CH) 2015-10-08 US claimed
US-9074228-B2 Process for the preparation of optically active chiral amines LONZA AG (CH) 2015-07-07 US claimed
CN-101384723-B Process for the preparation of optically active chiral amines LONZA AG 2013-03-27 CN claimed
EP-2202318-A1 Process for the preparation of optically active chiral amines Lonza AG (CH) 2010-06-30 EP claimed
EP-1987152-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CHIRAL AMINES LONZA AG (CH) 2010-05-26 EP claimed
US-20090246837-A1 Process for The Preparation of Optically Active Chiral Amines LONZA AG (CH) 2009-10-01 US claimed
CN-101384723-A Process for the preparation of optically active chiral amines LONZA AG (CH) 2009-03-11 CN claimed
EP-1987152-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CHIRAL AMINES Lonza AG (CH) 2008-11-05 EP claimed
EP-1897956-A1 Process for preparation of optically active amines by optical resolution of racemic amines employing a bacterial omega-transaminase Lonza AG (CH) 2008-03-12 EP claimed
WO-2007093372-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CHIRAL AMINES LONZA AG (CH) 2007-08-23 WO claimed
EP-1818411-A1 Process for the preparation of optically active chiral amines Lonza AG (CH) 2007-08-15 EP claimed
US-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders CALDWELL WILLIAM SCOTT (US) 2002-03-14 US claimed
EP-0900200-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-03-10 EP claimed
WO-1997040011-A1 PHARMACEUTICAL COMPOSITIONS FOR PREVENTION AND TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS R. J. REYNOLDS TOBACCO COMPANY (US) 1997-10-30 WO claimed
EP-2202317-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE CHIRAL AMINOPYRROLIDINES (3-AP, B3-AP) LONZA AG (CH) 2017-03-01 EP disclosed
US-9551018-B2 Process for the preparation of optically active chiral amines LONZA AG (CH) 2017-01-24 US disclosed
EP-0298466-A2 Substituted alkene carboxylic acid amides and derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-01-11 EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 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-20020032206-A1 Pharmaceutical compositions for prevention and treatment of central nervous system disorders PMP22, AANAT, CHAT CYP2A6 172/4885TDP1 1227/4885L3MBTL1 4001/4885

“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.