SCHEMBL6417045

SCHEMBL6417045

COc1ccc(OC(F)(F)F)cc1I

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RUNX1 Q01196 2/20 0.39
ALPL P05186 3/20 0.39
GRM7 Q14831 2/20 0.39
SCN5A Q14524 1/20 0.38
GRIN2B Q13224 1/20 0.38
ABL1 P00519 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL23099950 0.85 RUNX1 (0.42) GPR3CA12CA1CA2CA7
SCHEMBL12422184 0.82 CA12 (0.61) GPR3CA12CA1CA2CA7
SCHEMBL24313612 0.81 L3MBTL1 (0.47) GPR3GRM7HCRTR1HCRTR2
SCHEMBL30776243 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL481218 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8302095 0.79 GPR3 (0.44) GPR3CA12CA1CA2CA7
SCHEMBL5158453 0.79 ALDH1A1 (0.46) GPR3CA12CA1CA2CA7
SCHEMBL17484615 0.78 PPARA (0.42) GPR3GRM7
SCHEMBL22714098 0.78 GPR3 (0.48) GPR3SCN5A
SCHEMBL6568256 0.78 GPR3 (0.42) GPR3CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551846-A1 AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
WO-2004031191-A1 AZABICYCLIC SPIROETHER DERIVATIVES AS RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-6479486-B2 ANTIDEPRESSANTS, ANALGESICS MERCK SHARP & DOHME LTD. (GB) 2002-11-12 US disclosed
US-20020147207-A1 AZABICYCLIC SPIROETHER DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-10-10 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-20020147207-A1 AZABICYCLIC SPIROETHER DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS GLRA1, GLRA2, CCKBR GPR3 242/4885CA12 1013/4885CA1 500/4885

“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.