SCHEMBL4292888

SCHEMBL4292888

CS(=O)(=O)Nc1cccc(COc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
MET P08581 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
CYP2D6 P10635 2/20 0.39
LTA4H P09960 1/20 0.38
DRD2 P14416 2/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR1E P28566 1/20 0.38
HTR1F P30939 1/20 0.38
SLC6A4 P31645 1/20 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
SCHEMBL7026821 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ARHPGD
SCHEMBL4292890 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ARHPGD
SCHEMBL4290384 0.83 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2HRH3CYP2D6
SCHEMBL7019971 0.81 KDM1A (0.54) RAB9AHRH3ALDH1A1LMNARECQL
SCHEMBL4288425 0.81 KDM1A (0.54) RAB9AHRH3ALDH1A1LMNARECQL
SCHEMBL4288434 0.81 KDM1A (0.54) RAB9AHRH3ALDH1A1LMNARECQL
SCHEMBL4288431 0.81 KDM1A (0.54) RAB9AHRH3ALDH1A1LMNARECQL
SCHEMBL4295426 0.80 HRH3 (0.42) NPC1RAB9ASMN1; SMN2HRH3CYP2D6
SCHEMBL4295422 0.80 HRH3 (0.42) NPC1RAB9ASMN1; SMN2HRH3CYP2D6
SCHEMBL4295431 0.80 HRH3 (0.42) NPC1RAB9ASMN1; SMN2HRH3CYP2D6

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 11 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
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

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 NPC1 1739/4885RAB9A 2361/4885SMN1; SMN2 4452/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 NPC1 1739/4885RAB9A 2361/4885SMN1; SMN2 4452/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 NPC1 1739/4885RAB9A 2361/4885SMN1; SMN2 4452/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 NPC1 1655/4885RAB9A 2371/4885SMN1; SMN2 4399/4885

“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.