SCHEMBL13660636

SCHEMBL13660636

[O-][n+]1ccc(CNc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LTA4H P09960 1/20 0.32
APP P05067 1/20 0.32
SNCA P37840 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL6382452 1.00 HRH3 (0.44) HRH3OPRM1OPRD1OPRK1HSD11B1
SCHEMBL4295378 0.85 HRH3 (0.47) HRH3GAAMAPTALOX15ALOX12
SCHEMBL13660634 0.85 HRH3 (0.47) HRH3GAAMAPTALOX15ALOX12
SCHEMBL13660635 0.83 HRH3 (0.60) HRH3KDM4EMEN1ALDH1A1GAA
SCHEMBL4294095 0.83 HRH3 (0.60) HRH3KDM4EMEN1ALDH1A1GAA
SCHEMBL4295615 0.79 HRH3 (0.46) HRH3OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL13660632 0.79 HRH3 (0.46) HRH3OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4290390 0.77 HRH3 (0.50) HRH3KDM4EMEN1ALDH1A1GAA
SCHEMBL13660627 0.77 HRH3 (0.50) HRH3KDM4EMEN1ALDH1A1GAA
SCHEMBL13660631 0.74 HRH3 (0.44) HRH3KDM4EALDH1A1GAAMAPT

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 2 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US 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 (1 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885OPRM1 51/4885OPRD1 100/4885

“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.