SCHEMBL6491986

SCHEMBL6491986

COc1ccc(I)cc1CCCO

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ELANE P08246 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL19122669 0.84 HTR2A (0.43) MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL6487286 0.83 ADRA1A (0.41) MTNR1AMTNR1BADRA1ATAAR1AOC3
SCHEMBL15413855 0.82 SLC6A4 (0.54) ADRA1ATAAR1SLC6A2SLC6A4
SCHEMBL3360173 0.81 ADRA1A (0.40) MTNR1AMTNR1BADRA1ATAAR1AOC3
SCHEMBL30669668 0.81 SLC6A2 (0.51) TNKS2MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL29138541 0.81 SLC6A2 (0.51) TNKS2MTNR1AMTNR1BADRA1ATAAR1
SCHEMBL5833761 0.81 ADRA1A (0.64) MTNR1AMTNR1BADRA1ATAAR1AOC3
SCHEMBL7782798 0.80 GABRA1 (0.48) ADRA1ATAAR1AOC3
SCHEMBL13845938 0.80 ADRA1A (0.39) MTNR1AMTNR1BADRA1ATAAR1SLC6A2
SCHEMBL13845991 0.80 ADRA1A (0.39) MTNR1AMTNR1BADRA1ATAAR1SLC6A2

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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 TNKS2 827/4885MTNR1A 2793/4885MTNR1B 2177/4885

“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.