SCHEMBL4550313

SCHEMBL4550313

COc1cc(C(C)N)cnc1OCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP17A1 P05093 2/20 0.34
PTGS2 P35354 1/20 0.34
HTR2A P28223 3/20 0.33

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 SCHEMBL2713108 0.99 AAK1 (0.36) AAK1PIK3CAMTORMEN1KMT2A
SCHEMBL4550390 0.87 NPSR1 (0.36) AAK1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL2715756 0.86 NPSR1 (0.35) AAK1MEN1KMT2AALDH1A1MAPT
SCHEMBL4550347 0.85 AAK1 (0.39) AAK1PIK3CAMTORMEN1KMT2A
Hydrochloric Acid SCHEMBL2715008 0.84 AAK1 (0.39) AAK1PIK3CAMTORMEN1KMT2A
SCHEMBL4550322 0.82 AAK1 (0.39) AAK1PIK3CAMTORMEN1KMT2A
SCHEMBL24759260 0.81 PIK3CA (0.44) PIK3CAMTORMAPTCASP1L3MBTL1
SCHEMBL16045149 0.81 IDH1 (0.43) AAK1CYP17A1PTGS2CYP2C19CYP2C9
SCHEMBL4550317 0.81 IDH1 (0.43) AAK1CYP17A1PTGS2CYP2C19CYP2C9
SCHEMBL4550848 0.81 PIK3CA (0.36) AAK1PIK3CAMTORHTR2A

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
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US 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 AAK1 2999/4885PIK3CA 3585/4885MTOR 3927/4885

“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.