SCHEMBL17799890

SCHEMBL17799890

Clc1cccc(C(CNc2nc(Cl)nc3ccccc23)c2ccccc2)n1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 10/20 0.69
▸ APP P05067 3/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ ACP1 P24666 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.38

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) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17800898 0.85 SLC6A3 (0.62) SLC6A3APPPDE5AACP1MEN1
SCHEMBL17800931 0.82 SLC6A3 (1.00) SLC6A3ACP1MAPTMEN1POLB
SCHEMBL17800067 0.81 SLC6A3 (0.60) SLC6A3APPPDE5AACP1KDM4E
SCHEMBL17800043 0.81 SLC6A3 (0.72) SLC6A3PDE5AMEN1ALDH1A1POLB
SCHEMBL17799857 0.80 SLC6A3 (0.60) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17800032 0.79 SLC6A3 (0.59) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17799860 0.78 APP (0.56) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17799832 0.78 APP (0.58) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17799994 0.78 APP (0.58) SLC6A3APPPDE5AACP1TLR7

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 SLC6A3 3/4885APP 3495/4885PDE5A 836/4885

“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.

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