SCHEMBL10054504

SCHEMBL10054504

CC(C)(C)OC(=O)NC(CCNCCCCN)Cc1cc(F)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
AAK1 Q2M2I8 2/20 0.39
CTSS P25774 4/20 0.38
CTSK P43235 3/20 0.38
ATM Q13315 1/20 0.38
DPP4 P27487 3/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
PTPN1 P18031 1/20 0.35
CHRM2 P08172 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL10054481 0.91 ATM (0.45) SCN9AAAK1CTSSCTSKATM
SCHEMBL6875991 0.85 SIRT5 (0.40) SCN9AAAK1CTSSCTSKATM
SCHEMBL6874637 0.84 SCN9A (0.45) SCN9AAAK1CTSSCTSKATM
SCHEMBL10054498 0.84 SCN9A (0.45) SCN9AAAK1CTSSCTSKATM
SCHEMBL10078090 0.83 SCN9A (0.38) SCN9AAAK1CTSSCTSKATM
SCHEMBL10054496 0.82 ATM (0.44) SCN9AAAK1CTSSCTSKATM
SCHEMBL10054503 0.82 SCN9A (0.43) SCN9AAAK1CTSSCTSKATM
SCHEMBL10054499 0.81 SCN9A (0.45) SCN9AAAK1CTSSCTSKATM
SCHEMBL12849500 0.81 SCN9A (0.45) SCN9AAAK1CTSSCTSKATM
SCHEMBL10054507 0.81 SCN9A (0.45) SCN9AAAK1CTSSCTSKATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 SCN9A 4524/4885AAK1 3587/4885CTSS 43/4885

“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.