SCHEMBL17799808

SCHEMBL17799808

Clc1nc(NCC(Oc2ccccc2)c2ccccc2)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 5/20 0.61
▸ APP P05067 4/20 0.53
▸ PDE5A O76074 1/20 0.53
▸ GBA1 P04062 2/20 0.44
▸ ACP1 P24666 1/20 0.41
▸ SLC6A4 P31645 2/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RAD52 P43351 1/20 0.37

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
SCHEMBL17799993 0.86 APP (0.55) SLC6A3APPPDE5AACP1TLR7
SCHEMBL11251441 0.83 GBA1 (0.61) SLC6A3APPPDE5AGBA1ACP1
SCHEMBL17799848 0.82 APP (0.63) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17803687 0.81 SLC6A3 (0.56) SLC6A3APPMAPTHTTKDM4E
SCHEMBL17799832 0.79 APP (0.58) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17799994 0.79 APP (0.58) SLC6A3APPPDE5AACP1TLR7
SCHEMBL11246670 0.78 GBA1 (0.55) SLC6A3APPPDE5AGBA1ACP1
SCHEMBL11260802 0.77 GBA1 (0.54) SLC6A3APPPDE5AGBA1ACP1
SCHEMBL17800048 0.76 APP (0.56) SLC6A3APPPDE5AACP1TLR7
SCHEMBL17800008 0.76 SLC6A3 (0.62) SLC6A3APPPDE5AACP1TLR7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087148-B2 Quinazolines as biogenic amine transport modulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTE OF HEALTH (US) 2018-10-02 — — 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
EP-3226868-A1 NOVEL QUINAZOLINES 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
WO-2016090299-A1 NOVEL QUINAZOLINES 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10087148-B2 Quinazolines as biogenic amine transport modulators SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885APP 4050/4885PDE5A 711/4885
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885APP 4072/4885PDE5A 949/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 SLC6A3 3/4885APP 3495/4885PDE5A 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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