SCHEMBL16300598

SCHEMBL16300598

CC(=O)C1C[C@@H](C(C)(C)C)CN1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.43
▸ MMP2 P08253 6/20 0.39
▸ ANPEP P15144 5/20 0.39
▸ EPHX2 P34913 1/20 0.33
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CHRNB3 Q05901 1/20 0.31
▸ CHRNA6 Q15825 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
SCHEMBL16316654 1.00 ATM (0.43) ATMMMP2ANPEPEPHX2CHRNB2
SCHEMBL16313088 0.83 ATM (0.42) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL16350271 0.76 ATM (0.42) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL16300600 0.74 ATM (0.52) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL12601580 0.74 ATM (0.47) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL16349656 0.74 ATM (0.52) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL12562519 0.74 ATM (0.74) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL16349658 0.74 ATM (0.47) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL16300591 0.74 ATM (0.52) ATMMMP2ANPEPCHRNB2CHRNA3
SCHEMBL16300601 0.74 ATM (0.52) ATMMMP2ANPEPCHRNB2CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 — — US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 — — US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 — — US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 — — 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 (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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ATM 3799/4885MMP2 425/4885ANPEP 22/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ATM 3799/4885MMP2 425/4885ANPEP 22/4885

“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.

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