SCHEMBL240078

SCHEMBL240078

CCOC(=O)C(N)Cc1ccc(C#N)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.40
TRPV4 Q9HBA0 2/20 0.39
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
CTSD P07339 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CACNA1H O95180 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TPH1 P17752 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 1/20 0.36
MME P08473 1/20 0.35
KDM1A O60341 1/20 0.35
CTSC P53634 1/20 0.35

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
SCHEMBL243272 0.85 TRPA1 (0.47) DAOTRPV4CYP11B2CYP11B1CTSD
SCHEMBL2322118 0.82 SLC7A5 (0.53) TRPV4KDM4EHSD17B10TDP1TPH1
SCHEMBL11402716 0.81 SLC7A5 (0.48) KDM4EHSD17B10TDP1TPH1ALDH1A1
SCHEMBL536951 0.79 CTSC (0.50) CYP11B2CYP11B1ALDH1A1CTSC
SCHEMBL5357828 0.79 DAO (0.43) DAOTRPV4CYP11B2CYP11B1KDM4E
Hydrochloric Acid SCHEMBL536952 0.78 CTSC (0.49) CYP11B2CYP11B1ALDH1A1CTSC
Hydrochloric Acid SCHEMBL536950 0.78 CTSC (0.49) CYP11B2CYP11B1ALDH1A1CTSC
SCHEMBL6161194 0.78 DPP4 (0.47) MAPTTDP1TPH1ALDH1A1
SCHEMBL5109806 0.78 DPP4 (0.47) MAPTTDP1TPH1ALDH1A1
SCHEMBL1245311 0.78 MAOB (0.40) HSD17B10MAPTTPH1ALDH1A1MME

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 DAO 349/4885TRPV4 1633/4885CYP11B2 1215/4885

“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.