SCHEMBL4550848

SCHEMBL4550848

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
MTOR P42345 2/20 0.36
HTR2A P28223 4/20 0.33
SCN9A Q15858 1/20 0.32
NFKB1 P19838 1/20 0.31
EDNRA P25101 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
PIK3R1 P27986 2/20 0.30

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 SCHEMBL2716910 0.99 PIK3CA (0.36) PIK3CAMTORHTR2ASCN9ANFKB1
SCHEMBL24759260 0.82 PIK3CA (0.44) PIK3CAMTORHTR2A
SCHEMBL4550396 0.82 AAK1 (0.34) PIK3CAMTORHTR2ASCN9ANFKB1
SCHEMBL4550313 0.81 AAK1 (0.36) PIK3CAMTORHTR2AAAK1
Hydrochloric Acid SCHEMBL2713841 0.81 AAK1 (0.33) PIK3CAMTORSCN9AAAK1
SCHEMBL4550399 0.81 SCN9A (0.39) SCN9A
Hydrochloric Acid SCHEMBL2713108 0.80 AAK1 (0.36) PIK3CAMTORHTR2AAAK1
SCHEMBL4550341 0.79 MAPT (0.33) PIK3CAMTOR
Hydrochloric Acid SCHEMBL2715279 0.79 SCN9A (0.38) SCN9A
SCHEMBL4550398 0.78

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 PIK3CA 3585/4885MTOR 3927/4885HTR2A 523/4885

“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.