SCHEMBL17799809

SCHEMBL17799809

Cc1cc2nccn2cc1-c1nc(NCC(c2ccccc2)c2ccncc2)c2ccccc2n1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 15/20 0.59
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACP1 P24666 1/20 0.40

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
SCHEMBL17799839 0.99 SLC6A3 (0.59) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799946 0.96 SLC6A3 (0.54) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799822 0.91 SLC6A3 (0.49) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799820 0.90 SLC6A3 (0.51) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799900 0.89 SLC6A3 (0.47) SLC6A3CYP1A2CYP3A4HSD17B10LMNA
SCHEMBL17799921 0.89 SLC6A3 (0.46) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799801 0.88 SLC6A3 (0.51) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799853 0.88 SLC6A3 (0.45) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799895 0.87 SLC6A3 (0.45) SLC6A3CYP1A2CYP3A4HSD17B10ALDH1A1
SCHEMBL17799986 0.87 SLC6A3 (0.55) SLC6A3CYP1A2CYP3A4HSD17B10KDM4E

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 16 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
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 — — US disclosed
WO-2016090299-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 — — WO disclosed
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 — — US 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 (2 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-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885CYP1A2 925/4885CYP3A4 899/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885CYP1A2 796/4885CYP3A4 889/4885

“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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