SCHEMBL4295444

SCHEMBL4295444

CCCC(=O)N(c1ccc(C2CCC3CCCCN32)cc1)C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.40
SLC6A4 P31645 4/20 0.40
HRH3 Q9Y5N1 2/20 0.39
OPRM1 P35372 8/20 0.37
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SIGMAR1 Q99720 2/20 0.33
OPRL1 P41146 1/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
CHRM3 P20309 2/20 0.33
CHRM2 P08172 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL4295450 1.00 TACR1 (0.40) TACR1SLC6A4HRH3OPRM1SLC6A2
SCHEMBL4295438 1.00 TACR1 (0.40) TACR1SLC6A4HRH3OPRM1SLC6A2
SCHEMBL4292341 0.85 OPRM1 (0.40) SLC6A4HRH3OPRM1SLC6A2KDM4E
SCHEMBL4292339 0.85 OPRM1 (0.40) SLC6A4HRH3OPRM1SLC6A2KDM4E
SCHEMBL4292343 0.85 OPRM1 (0.40) SLC6A4HRH3OPRM1SLC6A2KDM4E
SCHEMBL4301772 0.82 HRH3 (0.39) HRH3OPRM1SLC6A3SIGMAR1OPRL1
SCHEMBL4301775 0.82 HRH3 (0.39) HRH3OPRM1SLC6A3SIGMAR1OPRL1
SCHEMBL4301777 0.82 HRH3 (0.39) HRH3OPRM1SLC6A3SIGMAR1OPRL1
SCHEMBL4296089 0.79 OPRM1 (0.42) HRH3OPRM1OPRL1OPRD1OPRK1
SCHEMBL28787507 0.74 TACR1 (0.64) TACR1SLC6A4HRH3OPRM1SLC6A2

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 TACR1 474/4885SLC6A4 288/4885HRH3 7/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 TACR1 474/4885SLC6A4 288/4885HRH3 7/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 TACR1 474/4885SLC6A4 288/4885HRH3 7/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 TACR1 447/4885SLC6A4 270/4885HRH3 7/4885

“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.