SCHEMBL5036802

SCHEMBL5036802

O=C(O)N(CCCc1ccccc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.47
SLC6A4 P31645 5/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A3 Q01959 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5 P09917 1/20 0.44
OPRM1 P35372 4/20 0.43
SLC18A3 Q16572 1/20 0.43
GBA1 P04062 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL2800413 0.84 L3MBTL1 (0.42) DCUN1D1SLC6A4SLC6A2SLC6A3L3MBTL1
SCHEMBL3811903 0.83 DCUN1D1 (0.58) DCUN1D1SLC6A4SLC6A2SLC6A3KCNH2
Hydrochloric Acid SCHEMBL21410210 0.81 DCUN1D1 (0.57) DCUN1D1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL22289769 0.81 C5AR1 (0.46) L3MBTL1MEN1KMT2AALOX5OPRM1
SCHEMBL340969 0.80 ALOX5 (0.55) SLC6A4SLC6A2SLC6A3KCNH2ALOX5
SCHEMBL27544721 0.79 GRIN2B (0.58) SLC6A4SLC6A2SLC6A3OPRM1SLC18A3
SCHEMBL16757437 0.79 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL2800416 0.79 OPRM1 (0.48) OPRM1MAOAMAOBPKM
SCHEMBL6622412 0.78 DCUN1D1 (0.54) DCUN1D1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL619150 0.78 SLC6A2 (0.71) DCUN1D1SLC6A4SLC6A2SLC6A3KCNH2

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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 DCUN1D1 1635/4885SLC6A4 2832/4885SLC6A2 1759/4885

“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.