SCHEMBL13660627

SCHEMBL13660627

c1cncc(CNc2ccc([C@H]3CC[C@H]4CCCCN43)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LTA4H P09960 1/20 0.48
PDE9A O76083 2/20 0.45
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NAMPT P43490 1/20 0.40
VNN1 O95497 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4290390 1.00 HRH3 (0.50) HRH3ALDH1A1LTA4HPDE9AKDM4E
SCHEMBL13660635 0.86 HRH3 (0.60) HRH3ALDH1A1KDM4EPKMMAPT
SCHEMBL4294095 0.86 HRH3 (0.60) HRH3ALDH1A1KDM4EPKMMAPT
SCHEMBL4295378 0.86 HRH3 (0.47) HRH3LTA4HPDE9AMAPTGAA
SCHEMBL13660634 0.86 HRH3 (0.47) HRH3LTA4HPDE9AMAPTGAA
SCHEMBL4290977 0.79 NPC1 (0.51) HRH3ALDH1A1KDM4EMAPTMEN1
SCHEMBL13660629 0.79 NPC1 (0.51) HRH3ALDH1A1KDM4EMAPTMEN1
SCHEMBL27783124 0.77 KDM4E (0.58) HRH3ALDH1A1PDE9AKDM4EPKM
SCHEMBL6382452 0.77 HRH3 (0.44) HRH3ALDH1A1LTA4HKDM4EMAPT
SCHEMBL4295615 0.77 HRH3 (0.46) HRH3ALDH1A1MAPTNAMPT

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 2994/4885LTA4H 399/4885

“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.