SCHEMBL17449708

SCHEMBL17449708

CC(C)Cc1cc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ ANO1 Q5XXA6 2/20 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
SCHEMBL19262096 0.86 FFAR4 (0.37) FFAR4SLC6A4HTR2AKCNH2CYP1A2
SCHEMBL17449715 0.82 KCNH2 (0.41) FFAR4ATML3MBTL1SLC6A4KCNH2
SCHEMBL16373805 0.81 FFAR4 (0.44) FFAR4SLC6A4HTR2AKCNH2CNR2
SCHEMBL21266901 0.81 FFAR4 (0.41) FFAR4L3MBTL1SLC6A4HTR2AKCNH2
SCHEMBL23434994 0.80 HTR2A (0.49) L3MBTL1SLC6A4HTR2AKCNH2GAA
SCHEMBL4477210 0.78 MAPT (0.53) FFAR4PTGDR2SLC6A4CNR2ANO1
SCHEMBL4468349 0.78 CCR5 (0.42) FFAR4SLC6A4HTR2AKCNH2CNR2
SCHEMBL24459310 0.78 FFAR4 (0.41) FFAR4SLC6A4HTR2AKCNH2CNR2
SCHEMBL2662469 0.76 SLC6A2 (0.49) SLC6A4KCNH2CYP2D6SLC6A2
SCHEMBL12356955 0.75 KCNK3 (0.39) HTR2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 — — US disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 — — US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 — — US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — 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 (3 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-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 FFAR4 1078/4885ATM 1555/4885PTGDR2 1959/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 FFAR4 54/4885ATM 4697/4885PTGDR2 82/4885
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 FFAR4 1600/4885ATM 3987/4885PTGDR2 32/4885

“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.

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