SCHEMBL4302552

SCHEMBL4302552

O=[N+]([O-])c1cccc(COc2ccc(C3CCC4CCCCN43)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MAOA P21397 1/20 0.49
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4302556 1.00 MAOB (0.49) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL4302549 1.00 MAOB (0.49) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL4295422 0.82 HRH3 (0.42) MAOBALDH1A1SMN1; SMN2LTA4H
SCHEMBL4295426 0.82 HRH3 (0.42) MAOBALDH1A1SMN1; SMN2LTA4H
SCHEMBL4295431 0.82 HRH3 (0.42) MAOBALDH1A1SMN1; SMN2LTA4H
SCHEMBL10721783 0.81 HRH3 (0.50) SMN1; SMN2LTA4H
Hydrochloric Acid SCHEMBL10759978 0.81 HRH3 (0.49) LTA4H
Hydrochloric Acid SCHEMBL10759989 0.81 HRH3 (0.49) LTA4H
Hydrochloric Acid SCHEMBL10759968 0.81 HRH3 (0.49) LTA4H
SCHEMBL4290460 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LTA4HPTGS2POLB

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MAOB 172/4885MAOA 104/4885CYP19A1 1360/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 MAOB 172/4885MAOA 104/4885CYP19A1 1360/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 MAOB 156/4885MAOA 87/4885CYP19A1 1388/4885

“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.