SCHEMBL3320562

SCHEMBL3320562

Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.61

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
SCHEMBL4024519 1.00 TACR1 (0.61) TACR1
SCHEMBL3315691 1.00 TACR1 (0.61) TACR1
SCHEMBL5411632 0.92 TACR1 (0.58) TACR1
SCHEMBL5409127 0.90 TACR1 (0.53) TACR1
SCHEMBL6800492 0.90 TACR1 (0.53) TACR1
SCHEMBL3319900 0.86 TACR1 (0.47) TACR1
SCHEMBL2487726 0.84 TACR1 (0.54) TACR1
SCHEMBL2487727 0.84 TACR1 (0.54) TACR1
SCHEMBL13647340 0.83 TACR1 (0.59) TACR1
SCHEMBL5411394 0.83 TACR1 (0.46) TACR1

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 132 patents — showing the first 20. 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 claimed
US-20100317666-A1 Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss GLAXO GROUP LIMITED 2010-12-16 US claimed
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US claimed
CN-101568341-A Composition comprising an nk-1 receptor antagonist and an ssri for the treatment of tinnitus and hearing loss GLAXO GROUP LTD (GB) 2009-10-28 CN claimed
EP-2079470-A2 COMPOSITION COMPRISING AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR THE TREATMENT OF TINNITUS AND HEARING LOSS Glaxo Group Limited (GB) 2009-07-22 EP claimed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP claimed
US-20080249108-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-10-09 US 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
WO-2008046882-A2 COMPOSITION COMPRISING AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR THE TREATMENT OF TINNITUS AND HEARING LOSS GLAXO GROUP LIMITED (GB) 2008-04-24 WO claimed
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-08-12 US claimed
EP-1218359-B1 PIPERAZINE COMPOUNDS AS TACHYKININS ANTAGONISTS GLAXO GROUP LTD (GB) 2004-07-07 EP claimed
US-20040048862-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-03-11 US claimed
EP-1377560-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP 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
WO-2002081461-A1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 WO 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

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 TACR1 1/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 TACR1 6/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 TACR1 1/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 TACR1 159/4885
US-20100317666-A1 Composition Comprising An NK-1 Receptor Antagonist And An SSRI For The Treatment Of Tinnitus And Hearing Loss HTR1A, TPH1, HTR5A TACR1 7/4885

“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.