SCHEMBL6004594

SCHEMBL6004594

COC(=O)N1CC(c2ccc(F)cc2)C(c2nc(C(C)C)c(C(N)=O)s2)CC1c1ccn[nH]1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.30
SLC6A3 Q01959 5/20 0.30
SLC6A4 P31645 3/20 0.30
SLC6A2 P23975 3/20 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
SCHEMBL6004590 0.80 TRPV1 (0.33) SLC6A3SLC6A4SLC6A2
SCHEMBL4871010 0.73 NR1H2 (0.34)
SCHEMBL6004899 0.71 NR1H2 (0.36)
SCHEMBL6004473 0.69 NR1H2 (0.36)
SCHEMBL6005072 0.68 NR1H2 (0.37)
SCHEMBL6004601 0.63 MAPK11 (0.36) AADAT
SCHEMBL8603258 0.58 TACR1 (0.39)
SCHEMBL8603196 0.56 HTR2B (0.39) SLC6A3
SCHEMBL4285494 0.56 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2
SCHEMBL30886485 0.53 RIPK1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 AADAT 3946/4885SLC6A3 2833/4885SLC6A4 3798/4885

“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.