SCHEMBL292365

SCHEMBL292365

CC(C)(CNC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.51
PLAU P00749 1/20 0.51
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SYK P43405 1/20 0.47
MAPT P10636 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL291124 0.88 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTCA12CA1
SCHEMBL7440470 0.85 MEN1 (0.56) SMN1; SMN2LMNAHTTCA12CA1
SCHEMBL2192192 0.85 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTPLAUCA12
SCHEMBL13741500 0.84 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTCA12CA1
SCHEMBL6044738 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTL3MBTL1NPC1
SCHEMBL18002248 0.83 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTPLAUCA12
SCHEMBL1610723 0.83 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTPLAUCA12
SCHEMBL6044415 0.83 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHTTL3MBTL1NPC1
SCHEMBL15677565 0.82 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTCA12CA1
SCHEMBL21985416 0.81 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324176-B2 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
US-20120165541-A1 METHOD FOR THE PREPARATION OF W-AMINO- ALKANEAMIDES AND W-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD SANDOZ AG 2012-06-28 US disclosed
EP-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
WO-2012010651-A2 METHOD FOR THE PREPARATION OF OMEGA-AMINO-ALKANEAMIDES AND OMEGA-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD SANDOZ AG (CH) 2012-01-26 WO disclosed
WO-2011012319-A1 METHOD FOR THE PREPARATION OF W-AMINO-ALKANEAMIDES AND W-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD SANDOZ AG (CH) 2011-02-03 WO disclosed
US-7635684-B2 treatment of disease associated with hyperglycemia: diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity; e.g. -[(4-{3-[N-(Carbamoylmethyl)-N-(methanesulfonyl)amino]-propoxy}-2-methylphenyl)methyl]-3-( beta -D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-22 US disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD (JP) 2009-08-13 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP 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-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 SMN1; SMN2 4382/4885LMNA 2896/4885HTT 2188/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 SMN1; SMN2 4382/4885LMNA 2896/4885HTT 2188/4885
US-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 SMN1; SMN2 4464/4885LMNA 1720/4885HTT 635/4885
US-20120165541-A1 METHOD FOR THE PREPARATION OF W-AMINO- ALKANEAMIDES AND W-AMINO-ALKANETHIOAMIDES AS WELL AS INTERMEDIATES OF THIS METHOD ABHD6, AADAT, LYPLA2 SMN1; SMN2 3964/4885LMNA 1938/4885HTT 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.