SCHEMBL6345217

SCHEMBL6345217

CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.56
AKT1 P31749 3/20 0.50
PLAU P00749 1/20 0.50
PLAUR Q03405 1/20 0.50
OPRD1 P41143 1/20 0.50
AKT2 P31751 1/20 0.50
AKT3 Q9Y243 1/20 0.50
GPR119 Q8TDV5 1/20 0.48
STS P08842 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACHE P22303 1/20 0.47
DPP4 P27487 1/20 0.47

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
SCHEMBL7130405 0.89 HDAC8 (0.54) HDAC8OPRD1GPR119DPP4
SCHEMBL2908042 0.84 TSHR (0.63) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL30337959 0.84 TSHR (0.63) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL21036751 0.83 AKT1 (0.53) HDAC8AKT1AKT2AKT3STS
SCHEMBL21036752 0.83 AKT1 (0.53) HDAC8AKT1AKT2AKT3STS
SCHEMBL6161206 0.82 HDAC8 (0.66) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL16466269 0.82 HDAC8 (0.58) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL16465214 0.82 HDAC8 (0.58) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL28018784 0.82 HDAC8 (0.58) HDAC8AKT1PLAUPLAUROPRD1
SCHEMBL5676544 0.81 ACKR3 (0.53) AKT1GPR119

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-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
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 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 HDAC8 431/4885AKT1 3920/4885PLAU 2565/4885

“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.