SCHEMBL4295422

SCHEMBL4295422

Nc1cccc(COc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
CYP2D6 P10635 2/20 0.40
MAOB P27338 5/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
ACHE P22303 1/20 0.39
LTA4H P09960 1/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
F2 P00734 1/20 0.37
KDM1A O60341 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL4295426 1.00 HRH3 (0.42) HRH3CYP2D6MAOBMRGPRX4ACHE
SCHEMBL4295431 1.00 HRH3 (0.42) HRH3CYP2D6MAOBMRGPRX4ACHE
SCHEMBL10721783 0.86 HRH3 (0.50) HRH3CYP2D6LTA4HNPC1TP53
Hydrochloric Acid SCHEMBL10759978 0.85 HRH3 (0.49) HRH3CYP2D6LTA4HNPC1RAB9A
Hydrochloric Acid SCHEMBL10759989 0.85 HRH3 (0.49) HRH3CYP2D6LTA4HNPC1RAB9A
Hydrochloric Acid SCHEMBL10759968 0.85 HRH3 (0.49) HRH3CYP2D6LTA4HNPC1RAB9A
SCHEMBL4302552 0.82 MAOB (0.49) MAOBLTA4HSMN1; SMN2ALDH1A1
SCHEMBL4302556 0.82 MAOB (0.49) MAOBLTA4HSMN1; SMN2ALDH1A1
SCHEMBL4302549 0.82 MAOB (0.49) MAOBLTA4HSMN1; SMN2ALDH1A1
SCHEMBL7026821 0.80 NPC1 (0.45) HRH3CYP2D6MRGPRX4LTA4HNPC1

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 disclosed
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
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 7/4885CYP2D6 584/4885MAOB 172/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CYP2D6 584/4885MAOB 172/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885CYP2D6 584/4885MAOB 172/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885CYP2D6 569/4885MAOB 156/4885

“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.