SCHEMBL17800007

SCHEMBL17800007

c1ccc2c(NCC(c3ccncc3)c3ccncc3)nc(-c3ccc4nccn4c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 14/20 0.61
▸ PDE5A O76074 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ ACP1 P24666 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DYRK1A Q13627 1/20 0.43

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
SCHEMBL17799804 0.99 SLC6A3 (0.62) SLC6A3PDE5APTGS1TBXAS1PTGS2
SCHEMBL17799892 0.95 SLC6A3 (0.55) SLC6A3ACP1
SCHEMBL17799794 0.91 SLC6A3 (0.64) SLC6A3PDE5APTGS1TBXAS1PTGS2
SCHEMBL17799810 0.89 SLC6A3 (0.63) SLC6A3PDE5AACP1
SCHEMBL17799961 0.87 SLC6A3 (0.65) SLC6A3PDE5AACP1
SCHEMBL17799998 0.85 SLC6A3 (0.61) SLC6A3ACP1
SCHEMBL17799799 0.85 SLC6A3 (0.57) SLC6A3PDE5APTGS1TBXAS1PTGS2
SCHEMBL17799866 0.85 SLC6A3 (0.63) SLC6A3ACP1
SCHEMBL17800077 0.85 SLC6A3 (0.46) SLC6A3PDE5AACP1KDM4EMAPK1
SCHEMBL17799828 0.85 PDE5A (0.46) SLC6A3PDE5AMEN1KMT2A

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 3 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-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 3/4885PDE5A 836/4885PTGS1 1649/4885

“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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