SCHEMBL6004590

SCHEMBL6004590

COC(=O)N1CC(c2ccc(F)cc2)C(c2nc(C(=O)NC(C)C)cs2)CC1c1ccn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TACR1 P25103 1/20 0.32
SLC6A3 Q01959 5/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A2 P23975 3/20 0.32
NAA50 Q9GZZ1 1/20 0.32
IDO1 P14902 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1C Q13936 1/20 0.31
KLKB1 P03952 1/20 0.31
PREP P48147 1/20 0.30
FAP Q12884 1/20 0.30
NTRK1 P04629 1/20 0.30
GPR6 P46095 1/20 0.30
ADAM17 P78536 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
SCHEMBL6004610 0.93 TACR1 (0.36) TRPV1PIM1PIM3PIM2TACR1
SCHEMBL4871010 0.85 NR1H2 (0.34) TACR1NAA50
SCHEMBL6004473 0.83 NR1H2 (0.36) TACR1PREPFAP
SCHEMBL6004899 0.82 NR1H2 (0.36) TACR1
SCHEMBL6004594 0.80 AADAT (0.30) SLC6A3SLC6A4SLC6A2
SCHEMBL6005072 0.79 NR1H2 (0.37) TACR1
SCHEMBL6004017 0.77 MMP13 (0.42)
SCHEMBL6002684 0.70 TACR1 (0.36) TRPV1PIM1PIM3PIM2TACR1
SCHEMBL6004587 0.66 OGA (0.36) PIM1PIM3PIM2TACR1SLC6A3
SCHEMBL4832492 0.66 TACR1 (0.35) TRPV1TACR1

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 TRPV1 2247/4885PIM1 1134/4885PIM3 1438/4885

“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.