SCHEMBL2646768

SCHEMBL2646768

CC(C)c1ccc(C(=O)/C=C(\C(=O)c2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
GCGR P47871 4/20 0.42
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
GCG P01275 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL2647538 1.00 CYP2D6 (0.45) CYP2D6GCGROPRM1OPRK1GCG
SCHEMBL2647532 1.00 CYP2D6 (0.45) CYP2D6GCGROPRM1OPRK1GCG
SCHEMBL2646770 1.00 CYP2D6 (0.45) CYP2D6GCGROPRM1OPRK1GCG
SCHEMBL2664958 0.92 GCGR (0.45) CYP2D6GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2649603 0.92 GCGR (0.45) CYP2D6GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2647338 0.92 GCGR (0.45) CYP2D6GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2647340 0.92 GCGR (0.45) CYP2D6GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2649608 0.92 GCGR (0.45) CYP2D6GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2665116 0.90 CYP2D6 (0.43) CYP2D6GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2647121 0.90 SERPINE1 (0.44) CYP2D6GCGRGCGNPC1RAB9A

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 CYP2D6 2704/4885GCGR 4/4885OPRM1 544/4885

“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.