SCHEMBL2643761

SCHEMBL2643761

CC(C)(C)OC(=O)N(Cc1ccc(C(=O)NCC#N)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 11/20 0.47
▸ NR1H4 Q96RI1 9/20 0.46
▸ GCGR P47871 2/20 0.45
▸ GIPR P48546 2/20 0.45
▸ GLP1R P43220 1/20 0.45
▸ PTGES O14684 2/20 0.45
▸ ALOX5 P09917 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ ESRRB O95718 1/20 0.41
▸ ESRRG P62508 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
SCHEMBL2643187 0.83 CA1 (0.53) EPHX2NR1H4GCGRGIPRGLP1R
SCHEMBL2643233 0.83 PTGES (0.63) EPHX2NR1H4GCGRGIPRGLP1R
SCHEMBL2643757 0.83 PTGES (0.52) EPHX2NR1H4GCGRGIPRGLP1R
SCHEMBL2643144 0.82 HDAC8 (0.46) EPHX2NR1H4GCGRGIPRGLP1R
SCHEMBL2651759 0.81 EPHX2 (0.46) EPHX2NR1H4GCGRGIPRGLP1R
SCHEMBL2655927 0.80 HDAC1 (0.54) EPHX2HDAC3HDAC8HDAC6MRGPRX4
SCHEMBL21652280 0.78 EPHX2 (0.61) EPHX2NR1H4MEN1KMT2ANPC1
SCHEMBL2651773 0.77 EPHX2 (0.41) EPHX2NR1H4GCGRGIPRGLP1R
SCHEMBL4092847 0.76 GCGR (0.57) EPHX2NR1H4GCGRGIPR
SCHEMBL22236345 0.75 HDAC1 (0.53) NR1H4PTGESALOX5HDAC3HDAC8

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
US-20040116483-A1 Glucagon antagonists/inverse agonists BEHRENS CARSTEN (DK) 2004-06-17 — — US disclosed
US-6649641-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-18 — — US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
US-20020187982-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2002-12-12 — — US 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 (2 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-20020187982-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR EPHX2 2953/4885NR1H4 107/4885GCGR 3/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR EPHX2 2953/4885NR1H4 107/4885GCGR 3/4885

“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.

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