SCHEMBL17800014

SCHEMBL17800014

COCCNc1ncc(-c2nc(NCC(c3ccccc3)c3ccccc3)c3ccccc3n2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.56
▸ CYP3A4 P08684 10/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP2C19 P33261 5/20 0.56
▸ USP2 O75604 5/20 0.56
▸ TSHR P16473 4/20 0.56
▸ CYP2D6 P10635 4/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ TP53 P04637 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HBB P68871 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ ALOX15 P16050 4/20 0.55
▸ CLK4 Q9HAZ1 4/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL17800054 0.85 SLC6A3 (0.57) SLC6A3ACP1
SCHEMBL17800093 0.84 MEN1 (0.61) CYP1A2CYP3A4HSD17B10CYP2C19USP2
SCHEMBL17799894 0.83 SLC6A3 (0.57) MEN1KMT2ASLC6A3ACP1
SCHEMBL17800087 0.82 SLC6A3 (0.51) CYP1A2MEN1KMT2ASLC6A3ACP1
SCHEMBL17799944 0.81 SLC6A3 (0.67) SLC6A3
SCHEMBL17799960 0.81 SLC6A3 (0.56) MEN1KMT2ASLC6A3ACP1
SCHEMBL17800012 0.81 SLC6A3 (0.52) TSHRMEN1KMT2ASLC6A3ACP1
SCHEMBL17799816 0.80 SLC6A3 (0.56) SLC6A3ACP1
SCHEMBL17799830 0.80 SLC6A3 (0.65) SLC6A3ACP1
SCHEMBL1084153 0.79 CYP1A2 (0.79) CYP1A2CYP3A4HSD17B10KDM4ECYP2C19

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 CYP1A2 796/4885CYP3A4 889/4885HSD17B10 3816/4885

“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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