SCHEMBL17800002

SCHEMBL17800002

Clc1nc(NC[C@H](c2ccccc2)n2cccc2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
PDE5A O76074 1/20 0.53
SLC6A3 Q01959 12/20 0.48
ACP1 P24666 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL17800004 1.00 APP (0.53) APPPDE5ASLC6A3ACP1TLR7
SCHEMBL17800044 0.87 SLC6A3 (0.64) APPPDE5ASLC6A3
SCHEMBL17799932 0.82 SLC6A3 (0.62) APPPDE5ASLC6A3ACP1MAPT
SCHEMBL17799848 0.82 APP (0.63) APPPDE5ASLC6A3ACP1TLR7
SCHEMBL17799854 0.81 SLC6A3 (0.63) APPPDE5ASLC6A3ACP1MAPT
SCHEMBL17799994 0.81 APP (0.58) APPPDE5ASLC6A3ACP1TLR7
SCHEMBL17799968 0.80 SLC6A3 (0.64) APPPDE5ASLC6A3MAPTKDM4E
SCHEMBL17800084 0.80 SLC6A3 (0.66) APPPDE5ASLC6A3
SCHEMBL17799832 0.79 APP (0.58) APPPDE5ASLC6A3ACP1TLR7
SCHEMBL17800008 0.76 SLC6A3 (0.62) APPPDE5ASLC6A3ACP1TLR7

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 836/4885SLC6A3 3/4885

“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.