SCHEMBL6017869

SCHEMBL6017869

Fc1[c]ccc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 8/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
KIF11 P52732 1/20 0.41
NOTUM Q6P988 1/20 0.39
PPARA Q07869 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
DHODH Q02127 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
GPR3 P46089 1/20 0.36

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
SCHEMBL407346 0.80 GPR3 (0.41) SCN5AKIF11SCN2AGPR3
SCHEMBL6019039 0.79 ABL1 (0.46) CA12CA9
SCHEMBL6573034 0.77 KIF11 (0.47) SCN5ACA12CA9AURKATPX2
SCHEMBL533257 0.77 KIF11 (0.47) SCN5ACA12CA9AURKATPX2
SCHEMBL7861005 0.77
SCHEMBL144207 0.77 KIF11 (0.47) CA12CA9KIF11
SCHEMBL533230 0.75 BCL2L1 (0.35) CA12CA9
SCHEMBL457663 0.75 KIF11 (0.42) SCN5ACA12CA9AURKATPX2
SCHEMBL18965021 0.74 TRPA1 (0.48) SCN5ACA12CA9AURKATPX2
SCHEMBL27338776 0.74 ALOX5 (0.40) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US disclosed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US disclosed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO 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-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R SCN5A 1965/4885CA12 4434/4885CA9 3656/4885

“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.