SCHEMBL6487286

SCHEMBL6487286

COc1ccc(I)cc1CCCBr

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTR2A P28223 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
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) ADRA1ATAAR1HTR2AMTNR1AMTNR1B
SCHEMBL6491986 0.83 TNKS2 (0.44) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL18304711 0.82 HTR2A (0.40) ADRA1ATAAR1HTR2AHTR2CHTR2B
SCHEMBL3360173 0.81 ADRA1A (0.40) ADRA1ATAAR1HTR2AMTNR1AMTNR1B
SCHEMBL7782798 0.80 GABRA1 (0.48) ADRA1ATAAR1HTR2AAOC3
SCHEMBL13845991 0.80 ADRA1A (0.39) ADRA1ATAAR1HTR2AMTNR1AMTNR1B
SCHEMBL13845938 0.80 ADRA1A (0.39) ADRA1ATAAR1HTR2AMTNR1AMTNR1B
SCHEMBL13845934 0.80 ADRA1A (0.39) ADRA1ATAAR1HTR2AMTNR1AMTNR1B
SCHEMBL6853537 0.79 HTR2A (0.50) TAAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL6488953 0.79 SLC6A4 (0.50) HTR2AHTR2CHTR2BAOC3

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 ADRA1A 1832/4885TAAR1 2654/4885HTR2A 2476/4885

“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.