SCHEMBL17799875

SCHEMBL17799875

O=C(N[C@H](CNc1nc(-c2ccc3nccn3c2)nc2ccccc12)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 14/20 0.42
▸ ADORA3 P0DMS8 2/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ RET P07949 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
SCHEMBL17799876 1.00 SLC6A3 (0.42) SLC6A3ADORA3ABCG2ACP1PDE10A
SCHEMBL17799879 0.93 SLC6A3 (0.44) SLC6A3ACP1PDE10ARET
SCHEMBL17799973 0.91 SLC6A3 (0.44) SLC6A3ACP1
SCHEMBL17799971 0.91 SLC6A3 (0.44) SLC6A3ACP1
SCHEMBL17815910 0.87 ABCG2 (0.42) SLC6A3ABCG2ACP1
SCHEMBL17799892 0.85 SLC6A3 (0.55) SLC6A3ACP1
SCHEMBL17799804 0.82 SLC6A3 (0.62) SLC6A3ACP1
SCHEMBL17799810 0.82 SLC6A3 (0.63) SLC6A3ACP1
SCHEMBL17799998 0.82 SLC6A3 (0.61) SLC6A3ACP1
SCHEMBL17800007 0.81 SLC6A3 (0.61) SLC6A3ACP1

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 5 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-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

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 3/4885ADORA3 84/4885ABCG2 78/4885

“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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