SCHEMBL18239176

SCHEMBL18239176

CCC(C)CNC(=O)C(C)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
REN P00797 3/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
KISS1R Q969F8 2/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
MAPT P10636 1/20 0.34
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MMP8 P22894 1/20 0.33

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
SCHEMBL24762831 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL24762806 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL24762829 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL24762809 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL24762817 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL24762880 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL24762807 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL24762827 0.85 GAA (0.38) CYP2D6CYP2C19USP2TSHRMME
SCHEMBL15259422 0.85 FAAH (0.33) CTSDRENUSP2TSHRMME
SCHEMBL17874816 0.84 ANPEP (0.36) ANPEPDNPEPRENCYP2D6CYP2C19

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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 CTSD 2170/4885ANPEP 10/4885DNPEP 7/4885

“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.