SCHEMBL4550767

SCHEMBL4550767

COc1cc(C(C)N)ccc1OCC(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 2/20 0.41
EPAS1 Q99814 2/20 0.41
FDPS P14324 3/20 0.40
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37

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
Hydrochloric Acid SCHEMBL2714282 0.98 SMN1; SMN2 (0.41) SMN1; SMN2HIF1AEPAS1FDPSACHE
SCHEMBL12094250 0.83 DUT (0.41) HTR2A
SCHEMBL4550725 0.83 ACHE (0.45) SMN1; SMN2ACHEL3MBTL1ALDH1A1LMNA
SCHEMBL4550350 0.83 SCN4A (0.44) ACHEGAAALDH1A1LMNAHTR2A
SCHEMBL4550759 0.83 AKT1 (0.41) GAAALDH1A1HTR2A
SCHEMBL11491615 0.82 GAA (0.57) SMN1; SMN2HIF1AFDPSACHEGAA
Hydrochloric Acid SCHEMBL2713628 0.81 ACHE (0.44) SMN1; SMN2ACHEL3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2714291 0.81 SCN4A (0.43) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL4550482 0.81 HTR2A (0.39) GAAALDH1A1LMNAHTR2AXDH
Hydrochloric Acid SCHEMBL2716784 0.81 AKT1 (0.40) GAAALDH1A1HTR2A

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-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 (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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A SMN1; SMN2 598/4885HIF1A 2640/4885EPAS1 2465/4885

“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.