SCHEMBL4293383

SCHEMBL4293383

N#CCN1CCCCC1CCCl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
SLC6A4 P31645 2/20 0.32
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30
CYP1A2 P05177 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
SCHEMBL9824289 0.78 OPRM1 (0.35) OPRM1OPRL1SLC6A4S1PR1S1PR3
SCHEMBL3893332 0.78 CFB (0.38) OPRM1OPRL1
SCHEMBL6443709 0.77 ALDH1A1 (0.40) SLC6A4S1PR1S1PR3S1PR5CYP1A2
SCHEMBL9824726 0.76 CHRM5 (0.41) OPRM1OPRL1CYP1A2
SCHEMBL9824186 0.76 MAPT (0.46) S1PR1S1PR3S1PR5CYP1A2
SCHEMBL9824249 0.76 SIGMAR1 (0.37) OPRM1OPRL1SLC6A4S1PR1S1PR3
SCHEMBL9824416 0.75 CHRM5 (0.44) OPRM1OPRL1CYP1A2
SCHEMBL9825059 0.75 CHRM5 (0.44) OPRM1OPRL1CYP1A2
SCHEMBL3119460 0.73 S1PR1 (0.46) S1PR1S1PR3S1PR5CYP1A2
SCHEMBL9824759 0.72 S1PR1 (0.38) OPRM1OPRL1SLC6A4S1PR1S1PR3

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 6 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 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 OPRM1 49/4885OPRL1 120/4885SLC6A4 288/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 OPRM1 49/4885OPRL1 120/4885SLC6A4 288/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 OPRM1 49/4885OPRL1 120/4885SLC6A4 288/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 OPRM1 51/4885OPRL1 124/4885SLC6A4 270/4885

“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.