SCHEMBL4290962

SCHEMBL4290962

CN(c1ccc(C2CCC3CCCCN32)cc1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL4297695 0.80 HRH3 (0.55) HRH3KDM4EHSD17B10ALDH1A1ALOX15
SCHEMBL4297699 0.80 HRH3 (0.55) HRH3KDM4EHSD17B10ALDH1A1ALOX15
SCHEMBL4297703 0.80 HRH3 (0.55) HRH3KDM4EHSD17B10ALDH1A1ALOX15
SCHEMBL4288836 0.75 HRH3 (0.52) HRH3KDM4ETDP1ALDH1A1CYP2D6
SCHEMBL13660540 0.75 HRH3 (0.52) HRH3KDM4ETDP1ALDH1A1CYP2D6
SCHEMBL13660608 0.73 HRH3 (0.51) HRH3ALDH1A1
SCHEMBL13660506 0.72 HRH3 (0.57) HRH3SMN1; SMN2ALDH1A1CYP2D6CYP2C19
SCHEMBL4294084 0.72 HRH3 (0.52) HRH3CHRM2CHRM1KDM4EALDH1A1
SCHEMBL4294088 0.72 HRH3 (0.52) HRH3CHRM2CHRM1KDM4EALDH1A1
SCHEMBL4290961 0.71 HRH3 (0.44) HRH3KDM4ESMN1; SMN2HSD17B10TDP1

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 7/4885CHRM2 321/4885CHRM4 209/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CHRM2 321/4885CHRM4 209/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CHRM2 321/4885CHRM4 209/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885CHRM2 304/4885CHRM4 202/4885

“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.