SCHEMBL17799994

SCHEMBL17799994

OC(CNc1nc(Cl)nc2ccccc12)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.58
PDE5A O76074 1/20 0.58
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACP1 P24666 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
SLC6A3 Q01959 2/20 0.43
TLR7 Q9NYK1 1/20 0.43
AOC3 Q16853 3/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 1/20 0.41
DYRK1A Q13627 2/20 0.41
CCNT1 O60563 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL17799848 0.87 APP (0.63) APPPDE5AACP1SLC6A3TLR7
SCHEMBL25242224 0.84 CSNK2A1 (0.46) APPPDE5AAURKARPS6KB1
SCHEMBL7334685 0.84 HPGD (0.46) APPPDE5AHPGDMAPK1NPC1
SCHEMBL19493215 0.83 APP (0.58) APPHPGDMAPK1AURKARPS6KB1
SCHEMBL17799832 0.83 APP (0.58) APPPDE5AACP1SLC6A3TLR7
SCHEMBL4859411 0.82 ACP1 (0.68) PDE5AMAPK1ACP1SLC6A3MAPT
SCHEMBL7417929 0.81 FAAH (0.47) APPPDE5AKDM4EAOC3MAPT
SCHEMBL17800004 0.81 APP (0.53) APPPDE5AMAPK1KDM4EACP1
SCHEMBL17800002 0.81 APP (0.53) APPPDE5AMAPK1KDM4EACP1
SCHEMBL17800008 0.81 SLC6A3 (0.62) APPPDE5AACP1SLC6A3TLR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
EP-3226867-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS Ananthan, Subramaniam (US) 2017-10-11 EP disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 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-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 APP 3495/4885PDE5A 836/4885HPGD 1212/4885

“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.