SCHEMBL6199816

SCHEMBL6199816

FC(F)(F)Oc1ccc(OCCCl)c(I)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.39
FFAR1 O14842 4/20 0.39
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.38
GPR3 P46089 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN8A Q9UQD0 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35
CHRM5 P08912 1/20 0.34

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
SCHEMBL17484615 0.86 PPARA (0.42) FFAR4FFAR1PPARAPPARDGPR3
SCHEMBL24313612 0.82 L3MBTL1 (0.47) GPR3
SCHEMBL5785776 0.77 FFAR1 (0.50) FFAR1MRGPRX4SLC6A4
SCHEMBL25354042 0.77 PPARD (0.51) FFAR4FFAR1PPARAPPARDMRGPRX4
SCHEMBL6417045 0.76 GPR3 (0.42) GPR3SCN5A
SCHEMBL6207509 0.74 TACR1 (0.41) GPR3SLC6A4SCN8ASCN10A
SCHEMBL4465407 0.73 PPARA (0.50) FFAR4FFAR1PPARAPPARDMRGPRX4
SCHEMBL17959897 0.73 MRGPRX4 (0.42) FFAR1MRGPRX4SCN10A
SCHEMBL22714098 0.73 GPR3 (0.48) GPR3CYP2C9SCN5A
SCHEMBL6412351 0.72 BCHE (0.42) FFAR4FFAR1PPARAPPARDGPR3

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-1551836-A1 AZABICYCLIC AMINE DERIVATIVES AS NK-1 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
WO-2004031190-A1 AZABICYCLIC AMINE DERIVATIVES AS NK-1 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
US-6555552-B2 Psychological disorders; analgesics; antiinflammatory agents MERCK SHARP & DOHME LTD. (GB) 2003-04-29 US disclosed
US-20020147212-A1 Azabicyclic amine 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-20020147212-A1 Azabicyclic amine derivatives and their use as therapeutic agents CXCR1, CXCR6, CCR6 FFAR4 492/4885FFAR1 331/4885PPARA 3710/4885

“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.