SCHEMBL1305001

SCHEMBL1305001

NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.52
▸ GHSR Q92847 2/20 0.52
▸ ALOX15 P16050 1/20 0.51
▸ CTSL P07711 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ NMBR P28336 3/20 0.50
▸ TACR1 P25103 2/20 0.50
▸ BRS3 P32247 1/20 0.49
▸ TACR3 P29371 1/20 0.49
▸ ACE P12821 1/20 0.48
▸ ECE1 P42892 1/20 0.48

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
SCHEMBL12108781 1.00 OPRM1 (0.52) OPRM1GHSRALOX15CTSLOPRD1
SCHEMBL26605057 0.87 CTSL (0.54) OPRM1ALOX15CTSLOPRD1NMBR
SCHEMBL5178667 0.87 CTSL (0.54) OPRM1ALOX15CTSLOPRD1NMBR
SCHEMBL12464196 0.87 OPRM1 (0.60) OPRM1ALOX15CTSLOPRD1NMBR
SCHEMBL23266831 0.86 GHSR (0.56) OPRM1GHSRALOX15CTSLNMBR
SCHEMBL24114750 0.85 MMP2 (0.57) OPRM1OPRD1NMBRTACR1BRS3
SCHEMBL29565336 0.81 GHSR (0.58) OPRM1GHSROPRD1BRS3
SCHEMBL30464831 0.80 OPRM1 (0.64) OPRM1OPRD1BRS3
SCHEMBL18541554 0.79 OPRD1 (0.56) OPRM1ALOX15CTSLOPRD1ACE
SCHEMBL19791166 0.79 PRMT1 (0.54) ALOX15OPRD1ACE

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-8052961-B2 Highly fluorinated β-amino acids and methods of making and using same UNIVERSITY OF UTAH FOUNDATION (US) 2011-11-08 — — US disclosed
US-20090259020-A1 HIGHLY FLUORINATED BETA-AMINO ACIDS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-10-15 — — US disclosed
WO-2008034093-A2 HIGHLY FLUORINATED β-AMINO ACIDS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-03-20 — — 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 (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-20090259020-A1 HIGHLY FLUORINATED BETA-AMINO ACIDS AND METHODS OF MAKING AND USING SAME DAO, ARRB1, ADRA2B OPRM1 1053/4885GHSR 3677/4885ALOX15 1340/4885

“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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