SCHEMBL4291010

SCHEMBL4291010

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL13663365 1.00 HRH3 (0.52) HRH3ALDH1A1HPGDGAAMAPK1
SCHEMBL4291017 1.00 HRH3 (0.52) HRH3ALDH1A1HPGDGAAMAPK1
SCHEMBL4291020 1.00 HRH3 (0.52) HRH3ALDH1A1HPGDGAAMAPK1
SCHEMBL4295729 0.93 LTA4H (0.50) HRH3ALDH1A1HPGDSMN1; SMN2LTA4H
SCHEMBL7024363 0.93 LTA4H (0.50) HRH3ALDH1A1HPGDSMN1; SMN2LTA4H
SCHEMBL4295726 0.93 LTA4H (0.50) HRH3ALDH1A1HPGDSMN1; SMN2LTA4H
SCHEMBL4288431 0.85 KDM1A (0.54) HRH3ALDH1A1MAPK1MEN1KMT2A
SCHEMBL7019971 0.85 KDM1A (0.54) HRH3ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4288434 0.85 KDM1A (0.54) HRH3ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4288425 0.85 KDM1A (0.54) HRH3ALDH1A1MAPK1MEN1KMT2A

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 9 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
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US 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-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 HRH3 7/4885ALDH1A1 3059/4885HPGD 98/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 3059/4885HPGD 98/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 3059/4885HPGD 98/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 2994/4885HPGD 110/4885

“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.