SCHEMBL13660546

SCHEMBL13660546

OC(c1ccncc1)c1ccc([C@H]2CC[C@H]3CCCCN32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.64
LTA4H P09960 1/20 0.42
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP19A1 P11511 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
ADAM17 P78536 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHIT1 Q13231 1/20 0.31
CHIA Q9BZP6 1/20 0.31

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
SCHEMBL4294091 0.87 HRH3 (0.64) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4296182 0.79 HRH3 (0.64) HRH3CYP11B1CYP11B2CYP19A1MEN1
SCHEMBL4296189 0.79 HRH3 (0.64) HRH3CYP11B1CYP11B2CYP19A1MEN1
SCHEMBL4430239 0.78 HRH3 (0.67) HRH3LTA4HCYP3A4MEN1KMT2A
SCHEMBL4296193 0.78 HRH3 (0.67) HRH3CYP3A4MEN1KMT2AKDM4E
SCHEMBL6701750 0.78 HRH3 (1.00) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL6699692 0.78 HRH3 (1.00) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL4297644 0.78 HRH3 (0.67) HRH3LTA4HMEN1KMT2AKDM4E
SCHEMBL4424834 0.78 HRH3 (1.00) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL13660595 0.78 HRH3 (0.67) HRH3CYP3A4MEN1KMT2AKDM4E

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 7/4885LTA4H 399/4885CYP11B1 2171/4885

“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.