SCHEMBL4431336

SCHEMBL4431336

O=S(=O)(CCC1CCCCN1)Nc1ccc([C@H]2CC[C@H]3CCCCN32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1F P30939 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ADRB1 P08588 1/20 0.31
KDM1A O60341 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4431345 1.00 KMT2A (0.41) KMT2AHRH3HTR1AHTR1DHTR1B
SCHEMBL7020960 0.98 HRH3 (0.40) KMT2AHRH3HTR1AHTR1DHTR1B
SCHEMBL4290996 0.98 HRH3 (0.40) KMT2AHRH3HTR1AHTR1DHTR1B
SCHEMBL4290998 0.84 HRH3 (0.44) KMT2AHRH3HTR6MEN1ALDH1A1
SCHEMBL4291001 0.84 HRH3 (0.44) KMT2AHRH3HTR6MEN1ALDH1A1
SCHEMBL4290993 0.84 HRH3 (0.44) KMT2AHRH3HTR6MEN1ALDH1A1
SCHEMBL4431339 0.83 HRH3 (0.43) KMT2AHRH3MEN1ALDH1A1LMNA
SCHEMBL4431333 0.83 HRH3 (0.43) KMT2AHRH3MEN1ALDH1A1LMNA
SCHEMBL4296883 0.81 KMT2A (0.39) KMT2AHRH3ADRB1
SCHEMBL4296873 0.81 KMT2A (0.39) KMT2AHRH3ADRB1

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 KMT2A 1283/4885HRH3 7/4885HTR1A 70/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 KMT2A 1283/4885HRH3 7/4885HTR1A 70/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 KMT2A 1283/4885HRH3 7/4885HTR1A 70/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 KMT2A 1231/4885HRH3 7/4885HTR1A 65/4885

“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.