SCHEMBL4301775

SCHEMBL4301775

CCC(=O)N(c1ccc(C2CCC3CCCCN32)cc1)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
OPRM1 P35372 7/20 0.38
SIGMAR1 Q99720 2/20 0.38
OPRL1 P41146 1/20 0.37
KCNH2 Q12809 2/20 0.36
SLC22A1 O15245 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB1 P08183 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36
DRD4 P21917 1/20 0.36
MAOB P27338 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL4301777 1.00 HRH3 (0.39) HRH3OPRM1SIGMAR1OPRL1KCNH2
SCHEMBL4301772 1.00 HRH3 (0.39) HRH3OPRM1SIGMAR1OPRL1KCNH2
SCHEMBL4292341 0.91 OPRM1 (0.40) HRH3OPRM1KCNH2RPLP1RPLP0
SCHEMBL4292339 0.91 OPRM1 (0.40) HRH3OPRM1KCNH2RPLP1RPLP0
SCHEMBL4292343 0.91 OPRM1 (0.40) HRH3OPRM1KCNH2RPLP1RPLP0
SCHEMBL4295450 0.82 TACR1 (0.40) HRH3OPRM1SIGMAR1OPRL1KCNH2
SCHEMBL4295444 0.82 TACR1 (0.40) HRH3OPRM1SIGMAR1OPRL1KCNH2
SCHEMBL4295438 0.82 TACR1 (0.40) HRH3OPRM1SIGMAR1OPRL1KCNH2
SCHEMBL7105668 0.82 HRH3 (0.40) HRH3SLC6A3
SCHEMBL5870760 0.75 OPRM1 (0.54) OPRM1SIGMAR1OPRL1KCNH2SLC22A1

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 8 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
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US 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
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 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 (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 7/4885OPRM1 49/4885SIGMAR1 948/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885OPRM1 49/4885SIGMAR1 948/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885OPRM1 49/4885SIGMAR1 948/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885OPRM1 51/4885SIGMAR1 912/4885

“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.