SCHEMBL17800062

SCHEMBL17800062

Clc1nc(NCCC(c2ccccc2)c2ccccc2)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.65
▸ PDE5A O76074 3/20 0.60
▸ SLC2A1 P11166 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ ACP1 P24666 1/20 0.42

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 0.85 APP (0.63) APPPDE5AMAPTHTTTLR7
SCHEMBL5113514 0.81 PDE5A (0.68) PDE5AMEN1KMT2AMAPTHTT
SCHEMBL7337304 0.80 APP (0.70) APPPDE5ASLC2A1MEN1KMT2A
SCHEMBL10839105 0.80 APP (0.70) APPPDE5AMEN1KMT2ARAD52
SCHEMBL4904310 0.80 APP (0.70) APPPDE5ASLC2A1BCHEACHE
SCHEMBL30125140 0.80 APP (0.70) APPPDE5AMEN1KMT2ARAD52
SCHEMBL17800067 0.79 SLC6A3 (0.60) APPPDE5AMAPK1ACP1
SCHEMBL17799869 0.79 APP (1.00) APPPDE5AKMT2AHTTMAPK1
SCHEMBL17799832 0.78 APP (0.58) APPPDE5AMEN1KMT2AMAPT
SCHEMBL17799994 0.78 APP (0.58) APPPDE5AMAPTHTTMAPK1

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 836/4885SLC2A1 156/4885

“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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