SCHEMBL6159878

SCHEMBL6159878

O=C1NN(CC2CCCCC2)C(c2ccncc2)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.40
SLC6A3 Q01959 11/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A4 P31645 5/20 0.36
KCNH2 Q12809 2/20 0.34
GSK3B P49841 1/20 0.34
CYP2D6 P10635 1/20 0.33
MAOB P27338 1/20 0.33
MDM2 Q00987 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6159020 0.78 ALDH1A1 (0.39) SLC6A2SLC6A3KDM4EALDH1A1MAPT
SCHEMBL6160110 0.76 KMT2A (0.44) SLC6A2SLC6A3MAPT
SCHEMBL5219990 0.73 SLC6A3 (0.42) SLC6A2SLC6A3KDM4EALDH1A1MAPT
SCHEMBL6159495 0.65 MAP3K14 (0.37) SLC6A2SLC6A3ALDH1A1MAPTSLC6A4
SCHEMBL5216813 0.64 SLC6A2 (0.48) SLC6A2SLC6A3KDM4EALDH1A1MAPT
SCHEMBL6160330 0.61 SLC6A3 (0.42) SLC6A2SLC6A3KDM4EALDH1A1MAPT
SCHEMBL6160368 0.58 PPARG (0.43) SLC6A2SLC6A3ALDH1A1MAPTSLC6A4
SCHEMBL4331978 0.58 SLC6A2 (0.68) SLC6A2SLC6A3SLC6A4KCNH2CYP2D6
SCHEMBL15335800 0.56 SLC6A2 (0.70) SLC6A2SLC6A3SLC6A4KCNH2CYP2D6
SCHEMBL10684465 0.56 SLC6A3 (0.67) SLC6A2SLC6A3SLC6A4

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-6967254-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2005-11-22 US disclosed
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040058918-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2004-03-25 US disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 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-20040058918-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, HMGB1 SLC6A2 1739/4885SLC6A3 2583/4885KDM4E 4091/4885

“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.