SCHEMBL4290975

SCHEMBL4290975

NC(c1ccc(C2CCC3CCCCN32)cc1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
KCNA5 P22460 4/20 0.39
KCNE1 P15382 1/20 0.39
MAPT P10636 3/20 0.33
APAF1 O14727 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL4294091 0.82 HRH3 (0.64) HRH3ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL4290387 0.79 HRH3 (0.52) HRH3ALDH1A1KDM4EMAPTLMNA
SCHEMBL4288192 0.74 HRH3 (0.72) HRH3ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13660554 0.74 HRH3 (0.72) HRH3ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL13660550 0.74 HRH3 (0.67) HRH3ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL4295611 0.74 HRH3 (0.48) HRH3LMNA
SCHEMBL13660506 0.73 HRH3 (0.57) HRH3ALDH1A1GAA
SCHEMBL13660546 0.72 HRH3 (0.64) HRH3ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL589267 0.71 SLC6A3 (0.54) ALDH1A1KDM4ETSHRKCNA5KCNE1
SCHEMBL4290977 0.71 NPC1 (0.51) HRH3ALDH1A1KDM4ETSHRMAPT

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 HRH3 7/4885ALDH1A1 3059/4885KDM4E 2037/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 3059/4885KDM4E 2037/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 3059/4885KDM4E 2037/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885ALDH1A1 2994/4885KDM4E 2041/4885

“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.