SCHEMBL2647338

SCHEMBL2647338

O=C(O)CCNC(=O)c1ccc(C(=O)/C(=C/C(=O)c2ccc(C3CCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43
CXCR4 P61073 1/20 0.43
HAO1 Q9UJM8 1/20 0.43
EPHX2 P34913 1/20 0.42
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPARD Q03181 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL2649608 1.00 GCGR (0.45) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2649603 1.00 GCGR (0.45) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2647340 1.00 GCGR (0.45) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2664958 1.00 GCGR (0.45) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2648057 0.97 SMN1; SMN2 (0.47) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2665118 0.97 SMN1; SMN2 (0.47) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2648055 0.97 SMN1; SMN2 (0.47) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2647121 0.95 SERPINE1 (0.44) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2646582 0.95 SERPINE1 (0.44) GCGRHDAC8HDAC6HDAC1CYP2D6
SCHEMBL2648116 0.95 CYP2D6 (0.43) GCGRHDAC8HDAC6HDAC1CYP2D6

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
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR GCGR 4/4885HDAC8 2171/4885HDAC6 4083/4885

“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.