SCHEMBL7689243

SCHEMBL7689243

CSCC[C@H](NC(=O)CC1CCCC1)C(=O)C1(N)C(=O)N(C)c2ccccc2N(C)C1=O.CSCC[C@H](NC(=O)CC1CCCC1)C(=O)C1(N)C(=O)N(CC2CC2)c2ccccc2N(CC2CC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.38
FNTB P49356 5/20 0.38
OPRL1 P41146 6/20 0.36
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACE P12821 1/20 0.35
UBE2N P61088 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL4988729 0.97 FNTA (0.38) FNTAFNTBOPRL1OPRM1OPRK1
SCHEMBL4993053 0.93 FNTA (0.41) FNTAFNTBOPRL1OPRM1OPRK1
SCHEMBL4993661 0.87 FNTA (0.38) FNTAFNTBSMN1; SMN2ACEUBE2N
SCHEMBL4988873 0.87 OPRL1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL4990383 0.83 PSEN1 (0.39) OPRL1OPRM1OPRK1
SCHEMBL4985924 0.82 SMYD3 (0.39) FNTAFNTBACEUBE2N
SCHEMBL4995441 0.82 NPC1 (0.42) OPRL1OPRM1OPRK1
SCHEMBL4992212 0.81 OPRL1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL4993124 0.80 OPRL1 (0.40) OPRL1OPRM1OPRK1
SCHEMBL4991390 0.79 IL2RA (0.39) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2002-05-02 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 (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-20020052359-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 FNTA 239/4885FNTB 322/4885OPRL1 2446/4885

“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.