SCHEMBL73853

SCHEMBL73853

CCOC(=O)[C]1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA1 P30542 2/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PDE4D Q08499 1/20 0.40
OPRM1 P35372 1/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 3/20 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
SCHEMBL303623 0.84
SCHEMBL294365 0.84 ALDH1A1 (0.44) KDM4EMAPTMEN1KMT2ASLC6A2
SCHEMBL1515138 0.80
SCHEMBL3636250 0.80 KDM4E (0.46) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL2289470 0.78 ALDH1A1 (0.45) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL16731027 0.76 CHRM3 (0.49) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL9780092 0.76 CHRM3 (0.42) MAPTKMT2ASLC6A3CYP1A2TSHR
SCHEMBL6586283 0.75 CYP1A2 (0.41) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL11558141 0.75 SLC6A2 (0.55) KDM4EMAPTMEN1ALOX15KMT2A
SCHEMBL4869840 0.73 TSHR (0.56) KDM4EMAPTMEN1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP claimed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US claimed
EP-1912972-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-09-28 EP claimed
US-7902240-B2 Kinesin spindle protein (KSP); anticancer agents; antiproliferative agents; e.g. N-((S)-3-amino-4-fluorobutyl)-N ((R)-1-(1-benzyl-3-(2,5-difluorophenyl)-1H-1,2,4-triazol-5-yl)-2,2-dimethylpropyl)nicotinamide NOVARTIS AG (CH) 2011-03-08 US claimed
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2010-02-11 US claimed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US claimed
CN-101558049-A Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2009-10-14 CN claimed
EP-2091926-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS Novartis AG (CH) 2009-08-26 EP claimed
CN-101253167-A Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES & DIAGNOSTIC (CH) 2008-08-27 CN claimed
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG 2008-08-21 US claimed
WO-2008063912-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2008-05-29 WO claimed
EP-1912972-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS Novartis AG (CH) 2008-04-23 EP claimed
WO-2007021794-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2007-02-22 WO claimed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US claimed
EP-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed
CN-101558049-B Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG 2012-08-15 CN disclosed
US-8129358-B2 Substituted pyrazole and triazole compounds as KSP inhibitors NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-1565475-A1 DIAZINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-24 EP disclosed
WO-2004046152-A1 DIAZINOPYRIMIDINES F. HOFFMANN LA ROCHE AG (CH) 2004-06-03 WO disclosed
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions HOFFMANN-LA ROCHE INC. 2004-05-20 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 (4 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-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B KDM4E 961/4885MAPT 753/4885MEN1 4230/4885
US-20100034813-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 KDM4E 1460/4885MAPT 1700/4885MEN1 3643/4885
US-20080200462-A1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS CYP3A43, ABCG2, CYP3A7 KDM4E 1460/4885MAPT 1700/4885MEN1 3643/4885
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions FGFR1, MAPK1, FGF1 KDM4E 4627/4885MAPT 1042/4885MEN1 3017/4885

“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.