Sugi Predict

Sugi Predict / Compounds / SCHEMBL4024932

SCHEMBL4024932

SCHEMBL4024932

Cc1cc(F)ccc1C1CN(C(=O)OCc2ccccc2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ TRPC3 Q13507 1/20 0.42
▸ TRPC7 Q9HCX4 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ HTR2C P28335 2/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ GRIN2B Q13224 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA2A P08913 1/20 0.39

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
SCHEMBL4027421 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL27567685 0.91 TMEM97 (0.41) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL4023143 0.90 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL27567654 0.86 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL4030424 0.82 TMEM97 (0.46) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL21955653 0.81 GSK3B (0.48) GSK3B
SCHEMBL4356723 0.81 GSK3B (0.42) PTGDR2GSK3BGRIN2B
SCHEMBL4356724 0.81 GSK3B (0.42) PTGDR2GSK3BGRIN2B
SCHEMBL27570508 0.80 TMEM97 (0.39) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL4029062 0.80 GSK3B (0.43) SMN1; SMN2MEN1KMT2AGSK3BLMNA

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 22 patents — showing the first 20. 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
CN-100413850-C Chemical compounds GLAXO GROUP LTD (GB) 2008-08-27 — — CN 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-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
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 SMN1; SMN2 4533/4885NPC1 1317/4885RAB9A 3828/4885
US-20060122192-A1 Chemical compounds TACR1, TACR2, TAC3 SMN1; SMN2 4533/4885NPC1 1317/4885RAB9A 3828/4885
US-20040157858-A1 Piperazine derivatives as tachykinin antagonists NPSR1, SSTR2, PROKR1 SMN1; SMN2 4229/4885NPC1 736/4885RAB9A 3330/4885
US-20040048862-A1 Chemical compounds TACR1, TACR2, TAC3 SMN1; SMN2 4533/4885NPC1 1317/4885RAB9A 3828/4885
US-20080249108-A1 Chemical Compounds CYP11B2, CYP11B1, CYP21A2 SMN1; SMN2 1604/4885NPC1 76/4885RAB9A 2857/4885

“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.