SCHEMBL1337233

SCHEMBL1337233

Fc1ccc(Br)c(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
EPHX2 P34913 1/20 0.39
EPAS1 Q99814 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PKM P14618 1/20 0.36
PDE2A O00408 1/20 0.36
UGCG Q16739 1/20 0.34
SCD O00767 2/20 0.32
AURKA O14965 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD11B1 P28845 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31

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
SCHEMBL261397 0.83 PKM (0.47) GPR3FFAR4EPHX2EPAS1HRH4
SCHEMBL21309151 0.82 FFAR1 (0.38) FFAR1FFAR4EPAS1PKMSCD
SCHEMBL20045039 0.82 FFAR1 (0.38) FFAR1FFAR4EPAS1PKMSCD
SCHEMBL3060730 0.81 MAPK1 (0.41) EPHX2HRH4SLC6A4
SCHEMBL31373430 0.81 MAPK1 (0.41) EPHX2HRH4SLC6A4
SCHEMBL24383667 0.79 FFAR1 (0.39) FFAR1FFAR4EPAS1PKMSCD
SCHEMBL12566385 0.78 EPHX2 (0.53) GPR3EPHX2EPAS1HRH4PDE2A
SCHEMBL20309114 0.78 TRPV1 (0.32) EPHX2
SCHEMBL20821929 0.78 KDM4E (0.37) SLC6A4KDM4E
SCHEMBL10874147 0.78 EPAS1 (0.40) EPAS1SLC6A4GRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981533-B1 PROTEIN KINASE INHIBITORS ORION CORP (FI) 2017-12-06 EP disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S GPR3 850/4885FFAR1 1178/4885FFAR4 1738/4885

“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.