SCHEMBL6004587

SCHEMBL6004587

COC(=O)N1CCC(c2ccnn2-c2nc(C(=O)NC(C)C)cs2)C(c2ccc(F)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.36
TACR1 P25103 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
NTRK1 P04629 1/20 0.33
SLC6A3 Q01959 4/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 2/20 0.32
CCR1 P32246 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 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
SCHEMBL6004607 0.92 ENPP2 (0.38) TACR1
SCHEMBL4871002 0.85 ENPP2 (0.39)
SCHEMBL6005068 0.79 ENPP2 (0.38) TACR1
SCHEMBL4832476 0.72 USP30 (0.40) TACR1
SCHEMBL6002680 0.69 USP30 (0.40)
SCHEMBL6004467 0.67 TP53 (0.43)
SCHEMBL4762503 0.66 USP30 (0.40) TACR1
SCHEMBL6004590 0.66 TRPV1 (0.33) TACR1PIM1PIM3PIM2NTRK1
SCHEMBL4832492 0.65 TACR1 (0.35) TACR1PPARG
SCHEMBL8150677 0.64 PDE4B (0.49) 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 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 OGA 1391/4885TACR1 3601/4885HRH3 1923/4885

“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.