SCHEMBL4295729

SCHEMBL4295729

CS(=O)(=O)Nc1ccc(Oc2ccc(C3CCC4CCCCN43)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
PGR P06401 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
MMP13 P45452 1/20 0.42
MMP2 P08253 2/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
MMP1 P03956 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR5 P51681 4/20 0.38
DPP4 P27487 1/20 0.37
NPY2R P49146 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4295726 1.00 LTA4H (0.50) LTA4HPGRHRH3MMP13MMP2
SCHEMBL7024363 1.00 LTA4H (0.50) LTA4HPGRHRH3MMP13MMP2
SCHEMBL4291020 0.93 HRH3 (0.52) LTA4HHRH3ALDH1A1SMN1; SMN2MEN1
SCHEMBL4291010 0.93 HRH3 (0.52) LTA4HHRH3ALDH1A1SMN1; SMN2MEN1
SCHEMBL4291017 0.93 HRH3 (0.52) LTA4HHRH3ALDH1A1SMN1; SMN2MEN1
SCHEMBL13663365 0.93 HRH3 (0.52) LTA4HHRH3ALDH1A1SMN1; SMN2MEN1
SCHEMBL10718875 0.81 CYP3A4 (0.46) HRH3MMP2MMP3MMP9MMP14
SCHEMBL4292888 0.80 NPC1 (0.45) LTA4HHRH3ALDH1A1RECQLSMN1; SMN2
SCHEMBL7026821 0.80 NPC1 (0.45) LTA4HHRH3ALDH1A1RECQLSMN1; SMN2
SCHEMBL4292890 0.80 NPC1 (0.45) LTA4HHRH3ALDH1A1RECQLSMN1; SMN2

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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US claimed
US-20050288323-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD 2005-12-29 US claimed
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine APODACA RICHARD (US) 2004-08-26 US claimed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP claimed
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US claimed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO claimed
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 LTA4H 427/4885PGR 2524/4885HRH3 7/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 LTA4H 427/4885PGR 2524/4885HRH3 7/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 LTA4H 427/4885PGR 2524/4885HRH3 7/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 LTA4H 399/4885PGR 2582/4885HRH3 7/4885

“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.