SCHEMBL17800015

SCHEMBL17800015

c1ccc(C(CNc2nc(-c3cccc4[nH]ccc34)nc3ccccc23)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 13/20 0.49
▸ ACP1 P24666 1/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 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
SCHEMBL17799918 0.87 SLC6A3 (0.50) SLC6A3ACP1CYP1A2CYP3A4LMNA
SCHEMBL17800005 0.84 SLC6A3 (0.49) SLC6A3ACP1CYP1A2CYP3A4LMNA
SCHEMBL17800049 0.83 SLC6A3 (0.47) SLC6A3ACP1
SCHEMBL17800083 0.80 SLC6A3 (0.54) SLC6A3ACP1MEN1KMT2A
SCHEMBL17799885 0.79 KDM1A (0.58) SLC6A3ACP1
SCHEMBL17799803 0.79 SLC6A3 (0.56) SLC6A3ACP1
SCHEMBL17812877 0.76 SLC6A3 (0.49) SLC6A3ACP1CYP1A2CYP3A4LMNA
SCHEMBL17799992 0.76 SLC6A3 (0.49) SLC6A3ACP1CYP1A2CYP3A4LMNA
SCHEMBL5107759 0.76 ACP1 (0.74) SLC6A3ACP1MAPK1MAPTMEN1
SCHEMBL17799888 0.76 SLC6A3 (0.53) SLC6A3ACP1MEN1KMT2A

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 3/4885ACP1 1950/4885CYP1A2 796/4885

“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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