SCHEMBL13660629

SCHEMBL13660629

c1ccc(CNc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
GRM4 Q14833 1/20 0.42
PTPN11 Q06124 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2A P29274 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
SCHEMBL4290977 1.00 NPC1 (0.51) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL13660634 0.82 HRH3 (0.47) GAAGFERL3MBTL1HRH3MAPT
SCHEMBL4295378 0.82 HRH3 (0.47) GAAGFERL3MBTL1HRH3MAPT
SCHEMBL13660635 0.80 HRH3 (0.60) ALDH1A1KDM4EGAAHRH3MAPT
SCHEMBL4294095 0.80 HRH3 (0.60) ALDH1A1KDM4EGAAHRH3MAPT
SCHEMBL4290390 0.79 HRH3 (0.50) ALDH1A1KDM4EGAAHRH3CYP1A2
SCHEMBL4296525 0.79 HRH3 (0.47) GAAHRH3MAPT
SCHEMBL13660637 0.79 HRH3 (0.47) GAAHRH3MAPT
SCHEMBL13660627 0.79 HRH3 (0.50) ALDH1A1KDM4EGAAHRH3CYP1A2
SCHEMBL13660631 0.76 HRH3 (0.44) ALDH1A1KDM4EGAAHRH3MAPT

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 2 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

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 NPC1 1655/4885RAB9A 2371/4885ALDH1A1 2994/4885

“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.