SCHEMBL4290460

SCHEMBL4290460

O=[N+]([O-])c1ccc(Oc2ccc(C3CCC4CCCCN43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
LTA4H P09960 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSPB1 P04792 1/20 0.42
SLC18A3 Q16572 1/20 0.41
FAAH O00519 1/20 0.39

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
SCHEMBL4290465 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4290454 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4288787 0.85 HRH3 (0.65) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL13660553 0.85 HRH3 (0.65) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7022621 0.81 HRH3 (0.52) MEN1KMT2ALTA4HHRH3
SCHEMBL4295507 0.81 HRH3 (0.52) MEN1KMT2ALTA4HHRH3
SCHEMBL4295509 0.81 HRH3 (0.52) MEN1KMT2ALTA4HHRH3
SCHEMBL4296903 0.81 HRH3 (0.52) MEN1KMT2ALTA4HHRH3
SCHEMBL4296909 0.81 HRH3 (0.52) MEN1KMT2ALTA4HHRH3
SCHEMBL4295503 0.81 HRH3 (0.52) MEN1KMT2ALTA4HHRH3

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 5 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
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
EP-0241298-A2 3-diphenyl substituted octahydroindolizine analgesic compounds McNeilab, Inc. (US) 1987-10-14 EP 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 ALDH1A1 3059/4885SMN1; SMN2 4452/4885LMNA 3933/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 ALDH1A1 3059/4885SMN1; SMN2 4452/4885LMNA 3933/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 ALDH1A1 3059/4885SMN1; SMN2 4452/4885LMNA 3933/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 ALDH1A1 2994/4885SMN1; SMN2 4399/4885LMNA 3905/4885

“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.