SCHEMBL243382

SCHEMBL243382

CC(C)(C)OC(=O)C(Cc1ccc(C#N)c(F)c1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.54
CTSD P07339 1/20 0.43
TRPA1 O75762 1/20 0.42
CTSS P25774 8/20 0.37
CTSK P43235 7/20 0.37
CTSB P07858 3/20 0.37
SLC7A5 Q01650 1/20 0.36
CACNA1H O95180 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
CTSL P07711 2/20 0.35
PTPN1 P18031 2/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL240325 0.88 CTSD (0.44) AAK1CTSDTRPA1MRGPRX4
SCHEMBL18511387 0.87 AAK1 (0.61) AAK1CTSDCTSSCTSKCTSB
SCHEMBL21029145 0.85 AAK1 (0.58) AAK1CTSSCTSKCTSBSLC7A5
SCHEMBL19088485 0.85 AAK1 (0.57) AAK1CTSDCTSSCTSKCTSB
SCHEMBL18256471 0.85 AAK1 (0.57) AAK1CTSDCTSSCTSKCTSB
SCHEMBL30191506 0.85 AAK1 (0.57) AAK1SLC7A5CTSLPTPN1
SCHEMBL3750181 0.83 AAK1 (0.58) AAK1CTSDCTSSCTSKCTSB
SCHEMBL3750184 0.83 AAK1 (0.58) AAK1CTSDCTSSCTSKCTSB
SCHEMBL21029344 0.83 AAK1 (0.58) AAK1CTSDCTSSCTSKSLC7A5
SCHEMBL25320379 0.83 AAK1 (0.58) AAK1CTSSCTSKCTSBCTSL

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-8748412-B2 Phenylalanine derivatives and their use as non-peptide GLP-1 receptor modulators ARGUSINA BIOSCIENCE INC. (KY) 2014-06-10 US disclosed
EP-2531198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS Argusina Inc. (US) 2012-12-12 EP disclosed
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2012-01-05 US disclosed
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 WO disclosed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 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-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 AAK1 687/4885CTSD 3183/4885TRPA1 1977/4885

“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.