SCHEMBL17799991

SCHEMBL17799991

c1ccc2c(NCC(c3ccncc3)c3ccncc3)nc(-c3ccc4[nH]ccc4c3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 13/20 0.62
▸ KDM1A O60341 1/20 0.54
▸ PDE5A O76074 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ PKN2 Q16513 1/20 0.47
▸ ACP1 P24666 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL17799885 0.94 KDM1A (0.58) SLC6A3KDM1AROCK2ROCK1PKN2
SCHEMBL17799981 0.90 SLC6A3 (0.65) SLC6A3KDM1APDE5APTGS1TBXAS1
SCHEMBL17799803 0.85 SLC6A3 (0.56) SLC6A3KDM1AACP1
SCHEMBL17799942 0.84 SLC6A3 (0.55) SLC6A3KDM1AROCK2ROCK1PKN2
SCHEMBL17799984 0.83 KDM1A (0.56) SLC6A3KDM1APDE5AROCK2ROCK1
SCHEMBL17799950 0.82 KDM1A (0.48) SLC6A3KDM1AMAPK1
SCHEMBL17799795 0.81 CYP1A2 (0.49) SLC6A3KDM1AKDM4EMAPK1
SCHEMBL17799806 0.80 SLC6A3 (0.77) SLC6A3PDE5APTGS1TBXAS1PTGS2
SCHEMBL17800033 0.79 SLC6A3 (0.62) SLC6A3ACP1MAPK1
SCHEMBL17799956 0.78 KDM1A (0.60) SLC6A3KDM1AROCK2ROCK1PKN2

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 9 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
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 — — US disclosed
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
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 — — US 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
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 3/4885KDM1A 3328/4885PDE5A 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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