SCHEMBL4020802

SCHEMBL4020802

Cc1cc(F)ccc1C1NC(C)CNC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
HTR2C P28335 3/20 0.36
GSK3B P49841 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TACR1 P25103 2/20 0.34
SLC40A1 Q9NP59 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR2A P28223 2/20 0.34
OPRL1 P41146 2/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR2B P41595 1/20 0.33
ALOX5 P09917 1/20 0.33
ACHE P22303 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL4025735 0.78 FPR1 (0.37) FPR1FPR2TACR1SLC40A1OPRL1
SCHEMBL2484568 0.76 HTR2A (0.41) FPR1FPR2HTR2CGSK3BSLC40A1
SCHEMBL2486115 0.76 HTR2A (0.41) FPR1FPR2HTR2CGSK3BSLC40A1
SCHEMBL27587005 0.70 HTR2C (0.33) HTR2CCA1CA2TACR1SLC40A1
SCHEMBL23878308 0.69 HTR2C (0.40) HTR2CGSK3BCA1CA2SLC40A1
SCHEMBL22039557 0.69 HTR2C (0.40) HTR2CGSK3BCA1CA2SLC40A1
SCHEMBL24349991 0.69 HTR2C (0.40) HTR2CGSK3BCA1CA2SLC40A1
SCHEMBL20757257 0.67 CHRNB2 (0.59) HTR2CTACR1CHRNB2CHRNB4CHRNA3
SCHEMBL25575869 0.65 DDB1 (0.64)
SCHEMBL16951709 0.64 OPRL1 (0.59) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP disclosed
US-20080249108-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-10-09 US disclosed
EP-1454901-B1 Pharmaceutical compositions comprising tachykinins antagonists and a serotonin reuptake inhibitor. GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
US-7345041-B2 treatment of sleep disorders or inflammatory diseases of the bladder by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(S)-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-methyl-amide methansulphonate SMITHKLINE BEECHAM CORPORATION (US) 2008-03-18 US disclosed
US-RE39921-E1 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
US-7071196-B2 Chemical compounds SMITHKLINE BEECHAM CROPORATION (US) 2006-07-04 US disclosed
US-20060122192-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-08 US disclosed
US-6951861-B1 Chemical compounds SMITHKLINE BEECHAN CORPORATION (US) 2005-10-04 US disclosed
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . GLAXOSMITHKLINE LLC 2004-10-21 US disclosed
EP-1460066-A1 Piperazine compounds GLAXO GROUP LIMITED (GB) 2004-09-22 EP disclosed
EP-1454901-A1 Piperazine compounds and pharmaceutical compositions containing them. GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 US disclosed
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 disclosed
US-20030028021-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2003-02-06 US 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 (5 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-20030028021-A1 Chemical compounds TACR1, TACR2, TAC3 FPR1 670/4885FPR2 542/4885HTR2C 76/4885
US-20060122192-A1 Chemical compounds TACR1, TACR2, TAC3 FPR1 670/4885FPR2 542/4885HTR2C 76/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 FPR1 670/4885FPR2 542/4885HTR2C 76/4885
US-20040209893-A1 treatment of a condition mediated by a tachykinin including substance P and other neurokinins by administering N-benzyl-2-phenylpiperazine-1-carboxamides, e.g., 2-(4-Fluoro-2-methyl-phenyl)-piperazine-1-carboxylic Acid (3,5-bistrifuoromethyl-benzyl)-methyl-amide Hydrochloride . TACR1, TACR2, NPSR1 FPR1 256/4885FPR2 199/4885HTR2C 47/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 FPR1 271/4885FPR2 291/4885HTR2C 1220/4885

“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.