SCHEMBL17799888

SCHEMBL17799888

c1ccc(C(CNc2nc(-c3cccc4cccnc34)nc3ccccc23)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 13/20 0.53
▸ PIP4K2C Q8TBX8 1/20 0.47
▸ PIP4K2A P48426 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACP1 P24666 1/20 0.46
▸ METAP1 P53582 1/20 0.46
▸ PDE5A O76074 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
SCHEMBL17800083 0.88 SLC6A3 (0.54) SLC6A3PIP4K2CPIP4K2AMEN1NPC1
SCHEMBL17799793 0.78 SLC6A3 (0.62) SLC6A3ACP1PDE5A
SCHEMBL17800005 0.78 SLC6A3 (0.49) SLC6A3MEN1KMT2AACP1
SCHEMBL17799905 0.78 SLC6A3 (0.47) SLC6A3PIP4K2AMEN1NPC1KMT2A
SCHEMBL17812877 0.77 SLC6A3 (0.49) SLC6A3ACP1
SCHEMBL17799960 0.77 SLC6A3 (0.56) SLC6A3MEN1KMT2AACP1PDE5A
SCHEMBL5107759 0.77 ACP1 (0.74) SLC6A3MEN1KMT2AACP1PDE5A
SCHEMBL17799800 0.76 SLC6A3 (0.51) SLC6A3PIP4K2CMEN1NPC1KMT2A
SCHEMBL17800015 0.76 SLC6A3 (0.49) SLC6A3MEN1KMT2AACP1
SCHEMBL17799941 0.76 SLC6A3 (0.68) SLC6A3MEN1KMT2APDE5A

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 13 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 claimed
EP-3226867-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS Ananthan, Subramaniam (US) 2017-10-11 — — EP claimed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 — — US claimed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 — — WO claimed
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 3/4885PIP4K2C 1439/4885PIP4K2A 1728/4885

“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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