SCHEMBL13660631

SCHEMBL13660631

c1coc(CNc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
USP2 O75604 1/20 0.42
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KCNH3 Q9ULD8 2/20 0.37
SHMT2 P34897 1/20 0.37
REN P00797 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4290961 1.00 HRH3 (0.44) HRH3ALDH1A1KDM4EGAALMNA
SCHEMBL13660634 0.81 HRH3 (0.47) HRH3GAAALOX15MAPK1HTT
SCHEMBL4295378 0.81 HRH3 (0.47) HRH3GAAALOX15MAPK1HTT
SCHEMBL13660635 0.76 HRH3 (0.60) HRH3ALDH1A1KDM4EGAAHSD17B10
SCHEMBL4294095 0.76 HRH3 (0.60) HRH3ALDH1A1KDM4EGAAHSD17B10
SCHEMBL13660629 0.76 NPC1 (0.51) HRH3ALDH1A1KDM4EGAAHPGD
SCHEMBL4290977 0.76 NPC1 (0.51) HRH3ALDH1A1KDM4EGAAHPGD
SCHEMBL4290390 0.75 HRH3 (0.50) HRH3ALDH1A1KDM4EGAAHSD17B10
SCHEMBL13660627 0.75 HRH3 (0.50) HRH3ALDH1A1KDM4EGAAHSD17B10
SCHEMBL6382452 0.74 HRH3 (0.44) HRH3ALDH1A1KDM4EGAATSHR

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 HRH3 7/4885ALDH1A1 2994/4885KDM4E 2041/4885

“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.