SCHEMBL17048583

SCHEMBL17048583

CCCOc1cc(OCc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
MAOB P27338 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
GPR84 Q9NQS5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
NR4A2 P43354 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 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
SCHEMBL23536709 0.84 MAOB (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21958646 0.82 GRM5 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18882718 0.81 GRM5 (0.54) MAOBMEN1KMT2AL3MBTL1CHRNB2
SCHEMBL13284575 0.81 FFAR1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4568938 0.81 MAOB (0.69) MAOBKMT2ANR4A2ALOX5
SCHEMBL13481295 0.81 GPR84 (0.45) GPR84L3MBTL1ALDH1A1
SCHEMBL17048558 0.80 MRGPRX4 (0.48) MAOBMEN1KMT2AMRGPRX4NR4A2
SCHEMBL31414462 0.80 MRGPRX4 (0.48) MAOBMEN1KMT2AMRGPRX4NR4A2
SCHEMBL17056171 0.79 FAAH (0.44) GPR84L3MBTL1PTGESALOX5PPARG
SCHEMBL4057023 0.79 CHRNA7 (0.65) MAOBL3MBTL1CHRNB2CHRNB4CHRNA3

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-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

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 PSEN1 436/4885PSEN2 615/4885APH1B 206/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A PSEN1 515/4885PSEN2 574/4885APH1B 270/4885

“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.