SCHEMBL7608080

SCHEMBL7608080

CN(C)C(=O)C([NH])C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
DPP4 P27487 2/20 0.31
PDF Q9HBH1 1/20 0.31

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
SCHEMBL4132074 0.77 FAAH (0.34)
SCHEMBL4120704 0.73 DPP4 (0.43) ALDH1A1DPP4
SCHEMBL21325199 0.72 DPP4 (0.33) TSHRALDH1A1NFKB1THPOHSD17B10
SCHEMBL7333954 0.71 ALDH1A1 (0.37) TSHRALDH1A1NFKB1THPOHSD17B10
SCHEMBL4121226 0.71 DPP4 (0.38) DPP4
SCHEMBL12867291 0.70 ALDH1A1 (0.38) TSHRALDH1A1DPP4PDF
SCHEMBL6799803 0.70 DPP4 (0.36) TSHRALDH1A1DPP4PDF
SCHEMBL14108242 0.70 ALDH1A1 (0.38) TSHRALDH1A1DPP4PDF
SCHEMBL4122456 0.69 PIK3CD (0.33) DPP4
SCHEMBL4132080 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP claimed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US claimed
EP-0621867-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP claimed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO claimed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6087324-A A WATER-INSOLUBLE OR A SLIGHTLY WATER-SOLUBLE POLYVALENT METAL SALT OF A WATER-SOLUBLE PHYSIOGICALLY ACTIVE PEPTIDE WHICH IS NOT AN ENDOTHELIN ANTAGONIST, AND A BIODEGRADABLE POLYMER SUCH AS COPOLYMER OF GLYCOLIC AND LACTIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
EP-0621867-B1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-07 EP disclosed
US-5538950-A PEPTIDE DERIVATIVES AS HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
WO-1993010144-A1 NEW ENDOTHELIN ANTAGONISTS AND THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 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 (2 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 TSHR 2159/4885ALDH1A1 2741/4885NFKB1 367/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 TSHR 2159/4885ALDH1A1 2741/4885NFKB1 367/4885

“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.