SCHEMBL17800016

SCHEMBL17800016

O=C(N[C@H](CNc1ncnc2ccccc12)c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ GALR3 O60755 3/20 0.48
▸ NR2F2 P24468 3/20 0.48
▸ EGFR P00533 2/20 0.48
▸ LMNA P02545 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ APP P05067 1/20 0.46
▸ LDHA P00338 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ AURKA O14965 2/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ MEN1 O00255 2/20 0.44

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
SCHEMBL17800017 1.00 RAB9A (0.48) RAB9AGALR3NR2F2EGFRLMNA
SCHEMBL17803692 0.78 EGFR (0.62) RAB9AGALR3NR2F2EGFRLMNA
SCHEMBL27873799 0.75 ADORA3 (0.66) RAB9AGALR3NR2F2EGFRLMNA
SCHEMBL7093339 0.75 KDM4E (0.54) RAB9ALMNAMAPK1SMN1; SMN2NPC1
SCHEMBL17803701 0.74 NR2F2 (0.62) RAB9AGALR3NR2F2EGFRLMNA
SCHEMBL17799875 0.74 SLC6A3 (0.42) ADORA3
SCHEMBL15347754 0.72 LMNA (0.65) RAB9AGALR3NR2F2EGFRLMNA
SCHEMBL17803682 0.72 EGFR (0.55) RAB9AGALR3NR2F2EGFRLMNA
SCHEMBL17803686 0.72 NR2F2 (0.59) RAB9AGALR3NR2F2EGFRLMNA
SCHEMBL16259077 0.70 EGFR (0.59) RAB9AGALR3NR2F2EGFRLMNA

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 4 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
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
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 RAB9A 2950/4885GALR3 741/4885NR2F2 3038/4885

“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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