SCHEMBL4297699

SCHEMBL4297699

CN(C)c1ccc(C2CCC3CCCCN32)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.55
SLC18A3 Q16572 1/20 0.43
ALDH1A1 P00352 8/20 0.42
GFER P55789 1/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.39
NOX4 Q9NPH5 2/20 0.37
NOX1 Q9Y5S8 1/20 0.37
CYBB P04839 1/20 0.37
CYP1A2 P05177 1/20 0.36
RORC P51449 1/20 0.35
PDGFRB P09619 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4297703 1.00 HRH3 (0.55) HRH3SLC18A3ALDH1A1GFERKDM4E
SCHEMBL4297695 1.00 HRH3 (0.55) HRH3SLC18A3ALDH1A1GFERKDM4E
SCHEMBL13660608 0.83 HRH3 (0.51) HRH3SLC18A3ALDH1A1GFERUSP2
SCHEMBL13660540 0.82 HRH3 (0.52) HRH3SLC18A3ALDH1A1KDM4ECYP1A2
SCHEMBL4288836 0.82 HRH3 (0.52) HRH3SLC18A3ALDH1A1KDM4ECYP1A2
SCHEMBL4294084 0.81 HRH3 (0.52) HRH3ALDH1A1GFERKDM4EUSP2
SCHEMBL4294088 0.81 HRH3 (0.52) HRH3ALDH1A1GFERKDM4EUSP2
SCHEMBL4290962 0.80 HRH3 (0.45) HRH3ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL13660618 0.80 HRH3 (0.45) HRH3SLC18A3
SCHEMBL4297714 0.79 HRH3 (0.44) HRH3SLC18A3ALDH1A1GFER

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
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-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 HRH3 7/4885SLC18A3 637/4885ALDH1A1 3059/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885SLC18A3 637/4885ALDH1A1 3059/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885SLC18A3 637/4885ALDH1A1 3059/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885SLC18A3 568/4885ALDH1A1 2994/4885

“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.