SCHEMBL2647077

SCHEMBL2647077

O=C(O)CCNC(=O)c1ccc(C(=O)C(=CC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
GCGR P47871 4/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HRH3 Q9Y5N1 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
GIPR P48546 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DPP4 P27487 1/20 0.39
HDAC1 Q13547 2/20 0.39

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
SCHEMBL2648378 1.00 CYP2D6 (0.44) CYP2D6GCGRDRD2DRD4DRD3
SCHEMBL2647075 1.00 CYP2D6 (0.44) CYP2D6GCGRDRD2DRD4DRD3
SCHEMBL2648373 1.00 CYP2D6 (0.44) CYP2D6GCGRDRD2DRD4DRD3
SCHEMBL2665118 0.95 SMN1; SMN2 (0.47) CYP2D6GCGRTAOK1TAOK3SMN1; SMN2
SCHEMBL2648055 0.95 SMN1; SMN2 (0.47) CYP2D6GCGRTAOK1TAOK3SMN1; SMN2
SCHEMBL2648057 0.95 SMN1; SMN2 (0.47) CYP2D6GCGRTAOK1TAOK3SMN1; SMN2
SCHEMBL2647340 0.94 GCGR (0.45) CYP2D6GCGRTAOK1TAOK3SMN1; SMN2
SCHEMBL2664958 0.94 GCGR (0.45) CYP2D6GCGRTAOK1TAOK3SMN1; SMN2
SCHEMBL2647338 0.94 GCGR (0.45) CYP2D6GCGRTAOK1TAOK3SMN1; SMN2
SCHEMBL2649608 0.94 GCGR (0.45) CYP2D6GCGRTAOK1TAOK3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO claimed
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
WO-2004063147-A1 SALTS AND SOLVATES OF GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-29 WO 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 CYP2D6 2704/4885GCGR 4/4885DRD2 797/4885

“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.