SCHEMBL17048558

SCHEMBL17048558

Fc1cc(OCc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
MAOB P27338 5/20 0.47
NR4A2 P43354 2/20 0.46
FFAR1 O14842 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AR P10275 1/20 0.45
ALOX5 P09917 3/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL31414462 1.00 MRGPRX4 (0.48) MRGPRX4MAOBNR4A2FFAR1MEN1
SCHEMBL26604865 0.93 MRGPRX4 (0.46) MRGPRX4MAOBNR4A2FFAR1MEN1
SCHEMBL31160636 0.84 MEN1 (0.59) MAOBFFAR1MEN1KMT2AALOX5
SCHEMBL5042093 0.84 ALOX5 (0.55) MAOBFFAR1MEN1KMT2AALOX5
SCHEMBL4279566 0.83 MAOB (0.57) MRGPRX4MAOBNR4A2MEN1KMT2A
SCHEMBL9228037 0.83 MAOB (0.57) MRGPRX4MAOBNR4A2MEN1KMT2A
SCHEMBL21958646 0.83 GRM5 (0.51) MRGPRX4MAOBNR4A2MEN1KMT2A
SCHEMBL23536709 0.81 MAOB (0.48) MRGPRX4MAOBNR4A2FFAR1MEN1
SCHEMBL18740137 0.81 MAOB (0.48) MRGPRX4MAOBNR4A2FFAR1MEN1
SCHEMBL15880914 0.81 MAOB (0.48) MRGPRX4MAOBNR4A2FFAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023204308-A1 OXAZEPINE DERIVATIVE 帝人ファーマ株式会社 2023-10-26 WO disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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 (2 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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S MRGPRX4 2303/4885MAOB 536/4885NR4A2 3749/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A MRGPRX4 2540/4885MAOB 424/4885NR4A2 3919/4885

“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.