SCHEMBL4302483

SCHEMBL4302483

FC(F)(F)Oc1ccc(-c2ccc([C@@H]3CC[C@H]4CCCCN43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
SCD5 Q86SK9 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 3/20 0.39
HCRTR1 O43613 1/20 0.38
GRIN2B Q13224 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
PDE5A O76074 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4292577 1.00 HRH3 (0.48) HRH3SCD5MMP2MMP9CYP2D6
SCHEMBL4302481 1.00 HRH3 (0.48) HRH3SCD5MMP2MMP9CYP2D6
SCHEMBL7025997 1.00 HRH3 (0.48) HRH3SCD5MMP2MMP9CYP2D6
SCHEMBL30423589 0.82 HCRTR1 (0.40) HRH3SCD5MMP2MMP9CYP2D6
SCHEMBL4292359 0.80 HRH3 (0.55) HRH3MAOBMEN1KMT2A
SCHEMBL13660570 0.80 HRH3 (0.55) HRH3MAOBMEN1KMT2A
SCHEMBL4292349 0.79 HRH3 (0.56) HRH3CYP2D6
SCHEMBL13660535 0.79 HRH3 (0.56) HRH3CYP2D6
SCHEMBL4295391 0.77 HRH3 (0.55) HRH3
SCHEMBL4295389 0.77 HRH3 (0.55) HRH3

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 claimed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP claimed
WO-2002024695-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO claimed
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed
EP-1326863-A2 OCTAHYDRO-INDOLIZINES AND QUINOLIZINES AND HEXAHYDRO-PYRROLIZINES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-16 EP 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 (1 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-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885SCD5 910/4885MMP2 3599/4885

“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.