SCHEMBL2666401

SCHEMBL2666401

O=C(O)CCNC(=O)c1ccc(NCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.55
EPHX2 P34913 1/20 0.48
CXCR4 P61073 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
DEGS1 O15121 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
HDAC1 Q13547 1/20 0.46
GCG P01275 2/20 0.45
CYP2D6 P10635 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 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
SCHEMBL2663337 1.00 GCGR (0.55) GCGREPHX2CXCR4HDAC8HDAC6
SCHEMBL2651250 0.88 GCGR (0.47) GCGREPHX2CXCR4HDAC8HDAC6
SCHEMBL2651897 0.85 MEN1 (0.52) GCGREPHX2CXCR4HDAC8HDAC6
SCHEMBL28747007 0.84 OPRM1 (0.50) GCGREPHX2CXCR4HDAC8HDAC6
SCHEMBL2647028 0.83 HAO1 (0.52) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL2665700 0.81 HDAC6 (0.46) GCGREPHX2CXCR4HDAC8HDAC6
SCHEMBL7742573 0.80 CXCR4 (0.59) GCGREPHX2CXCR4HDAC8HDAC6
SCHEMBL2665711 0.80 HTR2C (0.39) GCGREPHX2HDAC8HDAC6HDAC3
SCHEMBL2651174 0.79 AGER (0.51) GCGRHDAC1GCG
SCHEMBL2663338 0.79 GCGR (0.59) GCGRCXCR4OPRM1OPRK1CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152750-A1 Novel glucagon antagonists NOVO NORDISK A/S (DK) 2004-08-05 US disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040152750-A1 Novel glucagon antagonists GLP1R, GCGR, GIPR GCGR 2/4885EPHX2 3983/4885CXCR4 2133/4885

“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.