SCHEMBL17800043

SCHEMBL17800043

Clc1cccc(C(CNc2nc(-c3cccnc3)nc3ccccc23)c2ccccc2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.72
▸ GBA1 P04062 7/20 0.57
▸ PDE5A O76074 6/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ CYP1A2 P05177 3/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ CYP2D6 P10635 3/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ CLK4 Q9HAZ1 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ PTGS1 P23219 1/20 0.57
▸ TBXAS1 P24557 1/20 0.57
▸ PTGS2 P35354 1/20 0.57

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
SCHEMBL17799903 0.87 SLC6A3 (0.71) SLC6A3GBA1PDE5AALDH1A1CYP1A2
SCHEMBL17800931 0.84 SLC6A3 (1.00) SLC6A3HSD17B10MEN1LMNAKMT2A
SCHEMBL17799890 0.81 SLC6A3 (0.69) SLC6A3PDE5AALDH1A1MEN1KMT2A
SCHEMBL17799974 0.79 GBA1 (0.74) GBA1PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL5107759 0.76 ACP1 (0.74) SLC6A3GBA1PDE5AMEN1MAPK1
SCHEMBL17799837 0.76 SLC6A3 (0.61) SLC6A3GBA1PDE5AALDH1A1CYP1A2
SCHEMBL14453642 0.76 ALDH1A1 (0.71) GBA1PDE5AALDH1A1CYP1A2CYP3A4
SCHEMBL17799806 0.74 SLC6A3 (0.77) SLC6A3PDE5AALDH1A1MEN1TSHR
SCHEMBL17799941 0.74 SLC6A3 (0.68) SLC6A3GBA1PDE5AALDH1A1CYP1A2
SCHEMBL17799833 0.74 SLC6A3 (0.62) SLC6A3GBA1PDE5AALDH1A1CYP1A2

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 7 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
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

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 3/4885GBA1 3803/4885PDE5A 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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