SCHEMBL615633

SCHEMBL615633

CS(=O)(=O)c1cc(F)ccc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
HTR6 P50406 11/20 0.46
SLC9A3 P48764 1/20 0.44
HTR1A P08908 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.43
HTR3A P46098 2/20 0.43

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
SCHEMBL4513999 0.88 KDR (0.48) KDRHTR6SLC9A3HTR1ASLC6A2
SCHEMBL20129648 0.85 KDR (0.48) KDRHTR6HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL20141168 0.84 KDR (0.47) KDRHTR6HTR1ASLC6A2SLC6A4
SCHEMBL22542102 0.83 ALDH1A1 (0.54) HTR6HTR1ASLC6A4HTR7HTR3A
SCHEMBL2557226 0.82 USP2 (0.54) HTR6SLC9A3HTR1ASLC6A4HTR7
SCHEMBL4420344 0.80 HTR6 (0.46) HTR6HTR7HTR3A
SCHEMBL24451858 0.79 HTR6 (0.46) HTR6HTR1AHTR3A
SCHEMBL20884583 0.79 HTR6 (0.43) HTR6SLC6A2HTR3A
SCHEMBL8575378 0.78 SLC9A1 (0.52) HTR6
SCHEMBL3848435 0.78 HTR6 (0.67) HTR6HTR1ASLC6A2HTR7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722661-B2 Pyrrolopyrimidone and pyrrolopyridone inhibitors of tankyrase HOFFMANN-LA ROCHE INC. (US) 2014-05-13 US disclosed
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-26 US disclosed
US-20130331375-A1 PYRROLOPYRIMIDONE AND PYRROLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-12 US disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
CN-101610761-A 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor NOVARTIS AG (CH) 2009-12-23 CN disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
CN-101400653-A 11-beta HSD1 inhibitors WYETH CORP (US) 2009-04-01 CN disclosed
CN-101277945-A Indol-3-yl-carbonyl-piperidine and piperazine derivatives HOFFMANN LA ROCHE (CH) 2008-10-01 CN disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US 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 (7 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR KDR 1005/4885HTR6 117/4885SLC9A3 2780/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR KDR 1005/4885HTR6 117/4885SLC9A3 2780/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR KDR 1005/4885HTR6 117/4885SLC9A3 2780/4885
US-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 KDR 2285/4885HTR6 896/4885SLC9A3 1208/4885
US-20130345215-A1 PYRAZOLOPYRIMIDONE AND PYRAZOLOPYRIDONE INHIBITORS OF TANKYRASE TNKS1BP1, TPI1, TNKS KDR 1081/4885HTR6 4215/4885SLC9A3 2821/4885
US-20130331375-A1 PYRROLOPYRIMIDONE AND PYRROLOPYRIDONE INHIBITORS OF TANKYRASE TNKS1BP1, TNKS, TPI1 KDR 1069/4885HTR6 4447/4885SLC9A3 4538/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 KDR 4762/4885HTR6 1213/4885SLC9A3 1042/4885

“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.