SCHEMBL6160330

SCHEMBL6160330

CC(C)N1C(c2ccncc2)C(c2ccc(Cl)c(Cl)c2)C(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.42
SLC6A2 P23975 9/20 0.42
MAOB P27338 1/20 0.38
SLC6A4 P31645 5/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.35
MDM2 Q00987 1/20 0.34
PTGS1 P23219 1/20 0.33
FFAR1 O14842 1/20 0.32
TSHR P16473 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
SCHEMBL5219990 0.76 SLC6A3 (0.42) SLC6A3SLC6A2MAOBSLC6A4KDM4E
SCHEMBL6159020 0.74 ALDH1A1 (0.39) SLC6A3SLC6A2MAOBSLC6A4KDM4E
SCHEMBL6160368 0.74 PPARG (0.43) SLC6A3SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL5216813 0.63 SLC6A2 (0.48) SLC6A3SLC6A2MAOBSLC6A4KDM4E
SCHEMBL6159878 0.61 SLC6A2 (0.40) SLC6A3SLC6A2MAOBSLC6A4KDM4E
SCHEMBL6161488 0.59 TGFBR1 (0.40) KDM4EALDH1A1
SCHEMBL25758981 0.54 SLC6A4 (0.51) SLC6A3SLC6A2SLC6A4
SCHEMBL6028322 0.54 BACE1 (0.43) SLC6A3SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5999697 0.54 SLC6A4 (0.50) SLC6A3SLC6A2SLC6A4ALDH1A1PTGS1
SCHEMBL20459096 0.53 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4

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 SLC6A3 2583/4885SLC6A2 1739/4885MAOB 2258/4885

“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.