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SCHEMBL4029062

SCHEMBL4029062

Cc1cc(F)ccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ BRD3 Q15059 2/20 0.41
▸ GPR119 Q8TDV5 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PAK1 Q13153 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL4029061 1.00 GSK3B (0.43) GSK3BBRD3GPR119SMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL14335191 0.99 GSK3B (0.44) GSK3BBRD3GPR119SMN1; SMN2HDAC1
SCHEMBL16640393 0.90 SMN1; SMN2 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2
SCHEMBL28620049 0.90 SMN1; SMN2 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2
SCHEMBL29892008 0.88 GPR119 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2
SCHEMBL29372092 0.88 GPR119 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2
SCHEMBL22086319 0.88 GPR119 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2
SCHEMBL22086326 0.88 GPR119 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2
SCHEMBL29891665 0.88 GPR119 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2
SCHEMBL29892095 0.88 GPR119 (0.45) BRD3GPR119SMN1; SMN2HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012175434-A1 PHARMACEUTICAL FORMULATIONS COMPRISING VESTIPITANT GLAXO GROUP LIMITED (GB) 2012-12-27 — — WO disclosed
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
EP-1377560-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LTD (GB) 2005-09-21 — — EP 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-20040157858-A1 Piperazine derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-08-12 — — US disclosed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 — — US disclosed
EP-1377560-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 — — EP 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
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 — — 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 GSK3B 3723/4885BRD3 2245/4885GPR119 1166/4885
US-20060122192-A1 Chemical compounds TACR1, TACR2, TAC3 GSK3B 3723/4885BRD3 2245/4885GPR119 1166/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 GSK3B 4703/4885BRD3 2653/4885GPR119 335/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 GSK3B 3723/4885BRD3 2245/4885GPR119 1166/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 GSK3B 1960/4885BRD3 3811/4885GPR119 1299/4885

“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.