SCHEMBL2646584

SCHEMBL2646584

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.43
CYP2D6 P10635 1/20 0.42
PPARD Q03181 1/20 0.41
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ADCY6 O43306 2/20 0.39
ADCY3 O60266 2/20 0.39
ADCY9 O60503 2/20 0.39
ADCY5 O95622 2/20 0.39
ADCY8 P40145 2/20 0.39
ADCY7 P51828 2/20 0.39
ADCY2 Q08462 2/20 0.39
ADCY1 Q08828 2/20 0.39
ADCY4 Q8NFM4 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 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
SCHEMBL2646588 1.00 GCGR (0.43) GCGRCYP2D6PPARDEPHX2NR1H4
SCHEMBL2647340 0.93 GCGR (0.45) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2649603 0.93 GCGR (0.45) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2647338 0.93 GCGR (0.45) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2664958 0.93 GCGR (0.45) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2649608 0.93 GCGR (0.45) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2648118 0.90 CYP2D6 (0.43) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2648116 0.90 CYP2D6 (0.43) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2665116 0.90 CYP2D6 (0.43) GCGRCYP2D6PPARDEPHX2RAB9A
SCHEMBL2665118 0.90 SMN1; SMN2 (0.47) GCGRCYP2D6PPARDEPHX2RAB9A

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 4/4885CYP2D6 2704/4885PPARD 266/4885

“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.