SCHEMBL4297335

SCHEMBL4297335

CCS(=O)(=O)ON1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 3/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL9405550 0.93 GAA (0.30) GAA
SCHEMBL4434695 0.85 L3MBTL1 (0.33) CA1CA2GAANPSR1POLB
SCHEMBL28533725 0.83 CA1 (0.35) CA1CA2POLBKMT2ATSHR
SCHEMBL9009668 0.81 L3MBTL1 (0.37) GAANPSR1POLBKMT2ATSHR
SCHEMBL28908884 0.80 CA1 (0.31) CA1CA2POLB
SCHEMBL6048632 0.79 L3MBTL1 (0.35) NPSR1POLBKMT2ATSHRMAPK1
SCHEMBL510149 0.77 HSD11B1 (0.35) POLBKMT2ATSHRMAPK1ALDH1A1
SCHEMBL7998472 0.77 KDM4E (0.34) KMT2AKDM4E
SCHEMBL465094 0.77 CA12 (0.39) GAAKMT2ATSHRMAPK1RECQL
SCHEMBL28404636 0.76 KDM4E (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
US-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 US disclosed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US disclosed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP disclosed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 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 (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-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 CA1 1915/4885CA2 1032/4885GAA 1636/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 CA1 1915/4885CA2 1032/4885GAA 1636/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 CA1 1915/4885CA2 1032/4885GAA 1636/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 CA1 1936/4885CA2 973/4885GAA 1555/4885

“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.