SCHEMBL6129188

SCHEMBL6129188

CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)c1nc(-c2ccccc2-c2ccccc2)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
SCN9A Q15858 1/20 0.44
SSTR3 P32745 1/20 0.43
PPARA Q07869 2/20 0.41
ACE P12821 2/20 0.40
CCKBR P32239 2/20 0.40
CCKAR P32238 1/20 0.40
PTPRB P23467 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL27571239 0.92 CTSK (0.50) CTSKCTSSSCN9ASSTR3PPARA
SCHEMBL27571238 0.92 CTSK (0.50) CTSKCTSSSCN9ASSTR3PPARA
SCHEMBL1925923 0.90 CTSK (0.48) CTSKCTSSSCN9ASSTR3PPARA
SCHEMBL394603 0.82 PTPRB (0.52) CTSKCTSSSSTR3PPARAACE
SCHEMBL394602 0.82 PTPRB (0.52) CTSKCTSSSSTR3PPARAACE
SCHEMBL1928018 0.80 SSTR3 (0.45) CTSKCTSSSCN9ASSTR3PPARA
SCHEMBL5486443 0.79 SSTR3 (0.47) CTSKCTSSSCN9ASSTR3PPARA
SCHEMBL1928257 0.78 CTSK (0.47) CTSKCTSSSCN9ASSTR3PTPRB
SCHEMBL12971740 0.78 PPARA (0.57) CTSKCTSSSSTR3PPARAPTPRB
SCHEMBL1928254 0.78 CTSK (0.47) CTSKCTSSSCN9ASSTR3PTPRB

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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 US claimed

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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 CTSK 3778/4885CTSS 4183/4885SCN9A 567/4885

“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.