SCHEMBL6358599

SCHEMBL6358599

COc1cccc(C(=O)CN(C(C)=O)[C@@H](C(=O)O)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
PARP1 P09874 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 3/20 0.43

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
SCHEMBL6347549 0.89 HSD11B1 (0.48) HSD11B1CES2CES1HTR1AADRA2A
SCHEMBL6352526 0.89 PARP1 (0.49) HSD11B1CES2CES1HTR1AADRA2A
SCHEMBL6356051 0.83 ALDH1A1 (0.45) CES1ADRA2AKCNH2NPC1RAB9A
SCHEMBL6349361 0.83 ALDH1A1 (0.45) CES1ADRA2AKCNH2NPC1RAB9A
SCHEMBL6350978 0.83 ALDH1A1 (0.45) CES1ADRA2AKCNH2NPC1RAB9A
SCHEMBL6347116 0.81 CA12 (0.47) LMNASMN1; SMN2POLBKMT2AMEN1
SCHEMBL6349745 0.80 TRPM8 (0.54) HSD11B1CES2CES1HTR1AADRA2A
SCHEMBL664955 0.77 CES2 (0.61) HSD11B1CES2CES1PARP1CHRM2
SCHEMBL6350477 0.77 L3MBTL1 (0.51) HSD11B1CES2CES1OPRM1NPC1
SCHEMBL6350485 0.74 KMT2A (0.44) CES1NPC1RAB9ALMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040097496-A1 Novel thiazine derivatives SANTEN PHARMACEUTICAL CO.,LTD. (JP) 2004-05-20 US disclosed
EP-1211249-A1 NOVEL THIAZINE OR PYRAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP 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-20040097496-A1 Novel thiazine derivatives CMA1, TPSD1, HRH4 HSD11B1 604/4885CES2 866/4885CES1 94/4885

“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.