SCHEMBL240325

SCHEMBL240325

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.44
AAK1 Q2M2I8 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
DAO P14920 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
EGFR P00533 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
SCHEMBL243382 0.88 AAK1 (0.54) CTSDAAK1MRGPRX4TRPA1
SCHEMBL12890812 0.83 AAK1 (0.44) AAK1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL5311248 0.80 AAK1 (0.42) AAK1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7222441 0.78 PPARG (0.43) AAK1MAPTKDM4EALDH1A1MEN1
SCHEMBL28584476 0.77 PPARG (0.45) AAK1MEN1KMT2ANPC1
SCHEMBL18554062 0.77 AAK1 (0.40) AAK1TDP1MAPTL3MBTL1ALDH1A1
SCHEMBL7400423 0.76 CES2 (0.44) AAK1MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5151578 0.76 CES2 (0.44) AAK1MAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL240078 0.76 DAO (0.40) CTSDTDP1MAPTKDM4EALDH1A1
SCHEMBL18833 0.76 TAAR1 (0.45) CTSDTDP1MAPTL3MBTL1KDM4E

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 CTSD 3183/4885AAK1 687/4885TDP1 2249/4885

“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.