SCHEMBL4288862

SCHEMBL4288862

O=Cc1ccc([C@@H]2CC[C@H]3CCCCN32)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A3 P47895 3/20 0.34
OPRM1 P35372 4/20 0.33
OPRK1 P41145 4/20 0.33
OPRL1 P41146 4/20 0.33
OPRD1 P41143 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 1/20 0.32

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
SCHEMBL4288858 1.00 HRH3 (0.55) HRH3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL4288856 1.00 HRH3 (0.55) HRH3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL13660571 0.96 HRH3 (0.51) HRH3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL4294203 0.96 HRH3 (0.51) HRH3TRIM24TRIM33ALDH1A1SMN1; SMN2
SCHEMBL7025469 0.80 HRH3 (0.67) HRH3ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL4296185 0.80 HRH3 (0.67) HRH3ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL4296193 0.80 HRH3 (0.67) HRH3ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL13660595 0.80 HRH3 (0.67) HRH3ALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL4297688 0.79 HRH3 (0.58) HRH3
SCHEMBL4292885 0.79 HRH3 (0.58) HRH3ALDH1A1KDM4EMEN1KMT2A

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 6 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
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 7/4885TRIM24 2827/4885TRIM33 2787/4885
US-20030013733-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885TRIM24 2827/4885TRIM33 2787/4885
US-20040167336-A1 Octahydro-indolizine and quinolizine and hexahydro-pyrrolizine HRH4, HNMT, HRH1 HRH3 7/4885TRIM24 2827/4885TRIM33 2787/4885
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885TRIM24 2877/4885TRIM33 2815/4885

“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.