SCHEMBL3314580

SCHEMBL3314580

O=C(O)N1CCNCC1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.53
DPP7 Q9UHL4 2/20 0.53
TACR1 P25103 6/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL5419310 0.91 DPP4 (0.46) DPP4DPP7TACR1KDM4EALDH1A1
SCHEMBL5480616 0.91 DPP4 (0.46) DPP4DPP7TACR1KDM4EALDH1A1
SCHEMBL7467909 0.89 DPP4 (0.54) DPP4DPP7TACR1HTR2CHTR2B
SCHEMBL19305170 0.88 DPP4 (0.43) DPP4DPP7TACR1KDM4EALDH1A1
SCHEMBL5411381 0.88 DPP4 (0.43) DPP4DPP7TACR1KDM4EALDH1A1
SCHEMBL20528485 0.87 DPP4 (0.46) DPP4DPP7HTR2CHTR2BHTR2A
SCHEMBL21801033 0.87 DPP4 (0.46) DPP4DPP7HTR2CHTR2BHTR2A
SCHEMBL2935422 0.87 DPP4 (0.46) DPP4DPP7HTR2CHTR2BHTR2A
SCHEMBL15636064 0.86 DPP4 (0.41) DPP4DPP7HTR2CHTR2BHTR2A
SCHEMBL16261916 0.86 DPP4 (0.41) DPP4DPP7TACR1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP claimed
EP-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP claimed
CN-100413850-C Chemical compounds GLAXO GROUP LTD (GB) 2008-08-27 CN claimed
US-RE39921-E1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US claimed
US-7071196-B2 Chemical compounds SMITHKLINE BEECHAM CROPORATION (US) 2006-07-04 US claimed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 US claimed
EP-1460066-A1 Piperazine compounds GLAXO GROUP LIMITED (GB) 2004-09-22 EP claimed
EP-1454901-A1 Piperazine compounds and pharmaceutical compositions containing them. GLAXO GROUP LIMITED (GB) 2004-09-08 EP claimed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 US claimed
US-6642240-B2 Piperazine derivatives; antagonists of tachykinins, including substance P; 2-(4-fluoro-2-methyl-phenyl)piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)methyl amide for example SMITHKLINE BEECHAM CORPORATION 2003-11-04 US claimed
US-20030028021-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2003-02-06 US claimed
CN-1391564-A Chemical compounds GLAXO GROUP LTD (GB) 2003-01-15 CN claimed
EP-1218359-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-07-03 EP claimed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 WO claimed
CN-101959513-A Novel pharmaceutical composition GLAXO GROUP LTD 2011-01-26 CN disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
CN-101641099-A Pharmaceutical composition comprising 3, 5-diamino-6- (2, 3-dichlorophenyl) -1, 2, 4-triazine or R (-) -2, 4-diamino-5- (2, 3-dichlorophenyl) -6-fluoromethylpyrimidine and NK1 GLAXO GROUP LTD GB 2010-02-03 CN disclosed
CN-1391564-A Chemical compounds GLAXO GROUP LTD (GB) 2003-01-15 CN disclosed
EP-1218359-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-07-03 EP disclosed
WO-2001025219-A2 PIPERAZINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-04-12 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 (3 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 DPP4 416/4885DPP7 337/4885TACR1 19/4885
US-20030028021-A1 Chemical compounds TACR1, TACR2, TAC3 DPP4 564/4885DPP7 523/4885TACR1 1/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 DPP4 564/4885DPP7 523/4885TACR1 1/4885

“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.