SCHEMBL3301449

SCHEMBL3301449

CCC(CC)N1CCNC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
OPRD1 P41143 1/20 0.30
TP53 P04637 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL510134 0.85 SLC6A2 (0.39) KDM4EALDH1A1TDP1SLC6A2SLC6A4
SCHEMBL14700537 0.84
Hydrochloric Acid SCHEMBL4386425 0.83 SLC6A2 (0.38) KDM4EALDH1A1SLC6A2SLC6A4OPRD1
Iodide SCHEMBL27681363 0.82 KDM4E (0.31) KDM4E
SCHEMBL2892828 0.78 CYP1A2 (0.36) KDM4EALDH1A1TDP1SLC6A2SLC6A4
SCHEMBL13076983 0.77
SCHEMBL2010031 0.77
SCHEMBL7717160 0.77
SCHEMBL7713683 0.77
SCHEMBL29031903 0.77 SIGMAR1 (0.36) KDM4EALDH1A1TDP1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4269402-A1 AROMATIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF GT Apeiron Therapeutics Limited (HK) 2023-11-01 EP disclosed
CN-101184758-B Novel compounds GLAXO GROUP LTD 2012-05-02 CN disclosed
US-20100093765-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 US disclosed
US-20100093766-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 US disclosed
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 US disclosed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 US disclosed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 US disclosed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP disclosed
CN-101184758-A Novel compounds GLAXO GROUP LTD (GB) 2008-05-21 CN disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 EP disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 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 (5 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-20100093766-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB KDM4E 2392/4885ALDH1A1 4156/4885TDP1 2552/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB KDM4E 2392/4885ALDH1A1 4156/4885TDP1 2552/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB KDM4E 2392/4885ALDH1A1 4156/4885TDP1 2552/4885
US-20100093765-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB KDM4E 2392/4885ALDH1A1 4156/4885TDP1 2552/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB KDM4E 2392/4885ALDH1A1 4156/4885TDP1 2552/4885

“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.