SCHEMBL4633333

SCHEMBL4633333

O=C1c2ccccc2C(=O)N1CCc1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.66
CASP3 P42574 1/20 0.65
TSHR P16473 1/20 0.58
HSD17B10 Q99714 2/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH2 P05091 1/20 0.50
ALDH3A1 P30838 1/20 0.50
PARK7 Q99497 1/20 0.50
APAF1 O14727 1/20 0.50

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
SCHEMBL1677739 0.90 TDP1 (0.66) GRM5CASP3TSHRALDH1A1L3MBTL1
SCHEMBL20244780 0.89 GRM5 (0.55) GRM5CASP3TSHRHSD17B10CA1
SCHEMBL22871554 0.86 GRM5 (0.58) GRM5CASP3TSHRCA1CA2
SCHEMBL1142116 0.85 CASP3 (0.86) CASP3TSHRHSD17B10CA1CA2
SCHEMBL29724090 0.85 CASP3 (0.86) CASP3TSHRHSD17B10CA1CA2
SCHEMBL30274271 0.82 L3MBTL1 (0.52) GRM5CASP3TSHRHSD17B10ALDH1A1
SCHEMBL6165776 0.81 CASP3 (0.62) CASP3TSHRCA1CA2CA9
SCHEMBL18074272 0.80 CASP3 (0.67) CASP3HSD17B10CA1CA2CA4
SCHEMBL1429821 0.79 CASP3 (0.65) CASP3HSD17B10CA1CA2CA4
SCHEMBL13442858 0.79 CASP3 (1.00) CASP3HSD17B10CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586612-B2 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
EP-1828131-B1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2008-06-04 EP disclosed
US-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
EP-1828131-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063722-A1 PIPERIDINESULFONYLUREAS AND -THIOUREAS, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 WO disclosed
US-4052507-A HYPOGLYCEMIC PFIZER INC. (US) 1977-10-04 US disclosed
US-3998828-A ORAL HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-12-21 US disclosed
US-3992388-A INTERMEDIATE FOR SULFAMYLUREA HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-11-16 US disclosed
US-3987172-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-10-19 US disclosed
US-3944524-A ORAL HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-03-16 US disclosed
US-3936455-A ORAL HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1976-02-03 US disclosed
US-3933830-A FROM 4-(2-PYRIDYLAMIDOETHYL) PYRIDINES REDUCED WITH HYDROGEN AND A NOBLE METAL CATALYST PFIZER INC. (US) 1976-01-20 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 (1 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-20080033016-A1 Piperidinesulfonylureas and -thioureas, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A3, ATP2A2 GRM5 2731/4885CASP3 384/4885TSHR 626/4885

“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.