SCHEMBL243337

SCHEMBL243337

COC(=O)C1Cc2cc(OC)c(OCc3ccccc3)cc2CN1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
PDE4B Q07343 2/20 0.48
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHRNA7 P36544 2/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL8964561 0.91 AGTR2 (0.54) AGTR2NPC1RAB9APKMPDE4B
SCHEMBL8964158 0.91 AGTR2 (0.54) AGTR2NPC1RAB9APKMPDE4B
SCHEMBL7225043 0.87 ACE (0.47) AGTR2NPC1RAB9APKMPDE4B
SCHEMBL7225047 0.87 ACE (0.47) AGTR2NPC1RAB9APKMPDE4B
SCHEMBL1202901 0.84 ALDH1A1 (0.44) HDAC8HPGD
SCHEMBL3054428 0.81 CHRNA7 (0.51) AGTR2PDE4BCHRNA7PDE4APDE4C
SCHEMBL7223266 0.81 TSHR (0.45) HDAC8SMN1; SMN2
SCHEMBL7223276 0.81 TSHR (0.45) HDAC8SMN1; SMN2
SCHEMBL21881595 0.81 KDM4E (0.47) AGTR2HPGD
SCHEMBL21602377 0.81 AGTR2 (0.52) AGTR2NPC1RAB9APKMHPGD

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 4 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

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 AGTR2 240/4885NPC1 1239/4885RAB9A 2137/4885

“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.