SCHEMBL4288431

SCHEMBL4288431

CS(=O)(=O)Nc1cccc(-c2ccc(C3CCC4CCCCN43)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
GRIA2 P42262 5/20 0.47
KCNH2 Q12809 4/20 0.47
KIF11 P52732 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 4/20 0.45
BRD4 O60885 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
TDP2 O95551 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CG P48736 1/20 0.43
FPR2 P25090 1/20 0.42
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4288434 1.00 KDM1A (0.54) KDM1AGRIA2KCNH2KIF11ALDH1A1
SCHEMBL4288425 1.00 KDM1A (0.54) KDM1AGRIA2KCNH2KIF11ALDH1A1
SCHEMBL7019971 1.00 KDM1A (0.54) KDM1AGRIA2KCNH2KIF11ALDH1A1
SCHEMBL4291010 0.85 HRH3 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4291017 0.85 HRH3 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4291020 0.85 HRH3 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL13663365 0.85 HRH3 (0.52) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4292888 0.81 NPC1 (0.45) ALDH1A1RAB9ALMNAMEN1KMT2A
SCHEMBL4292890 0.81 NPC1 (0.45) ALDH1A1RAB9ALMNAMEN1KMT2A
SCHEMBL7026821 0.81 NPC1 (0.45) ALDH1A1RAB9ALMNAMEN1KMT2A

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 10 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
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 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 KDM1A 1647/4885GRIA2 277/4885KCNH2 488/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 KDM1A 1647/4885GRIA2 277/4885KCNH2 488/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 KDM1A 1647/4885GRIA2 277/4885KCNH2 488/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 KDM1A 1605/4885GRIA2 275/4885KCNH2 470/4885

“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.