SCHEMBL2662995

SCHEMBL2662995

CC(C)(C)c1ccc(CN(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)c2cc3ccccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.62
HDAC3 O15379 5/20 0.62
HDAC2 Q92769 5/20 0.62
ACKR3 P25106 1/20 0.51
GCGR P47871 7/20 0.49
GIPR P48546 3/20 0.49
NCOR2 Q9Y618 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ADCY6 O43306 3/20 0.46
ADCY3 O60266 3/20 0.46
ADCY9 O60503 3/20 0.46
ADCY5 O95622 3/20 0.46
ADCY8 P40145 3/20 0.46
ADCY7 P51828 3/20 0.46
ADCY2 Q08462 3/20 0.46
ADCY1 Q08828 3/20 0.46
ADCY4 Q8NFM4 3/20 0.46
RAB9A P51151 2/20 0.46
ESRRG P62508 1/20 0.46

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
SCHEMBL13800470 0.85 HDAC1 (0.58) HDAC1HDAC3HDAC2ACKR3GCGR
SCHEMBL4085168 0.80 GCGR (0.65) HDAC1HDAC3HDAC2GCGRGIPR
SCHEMBL2663380 0.74 HDAC3 (0.47) HDAC1HDAC3HDAC2ACKR3GCGR
SCHEMBL15942950 0.73 RAB9A (0.65) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL2662590 0.73 GCGR (0.62) GCGRGIPRTMEM97SIGMAR1ADCY6
SCHEMBL4086646 0.71 GCGR (0.46) ACKR3GCGRGIPRADCY6ADCY3
SCHEMBL2662978 0.71 GCGR (0.65) GCGRGIPRADCY6ADCY3ADCY9
SCHEMBL14849599 0.71 HDAC2 (0.52) HDAC1HDAC3HDAC2NCOR2RAB9A
SCHEMBL2410827 0.70 HDAC1 (0.56) HDAC1HDAC3HDAC2ACKR3NCOR2
SCHEMBL3538160 0.70 GCGR (0.47) GCGRGIPRTMEM97SIGMAR1ADCY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
EP-1183229-B1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK AS (DK) 2005-10-26 EP disclosed
US-6875760-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-04-05 US disclosed
US-20030220350-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-11-27 US disclosed
US-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 CN disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 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 (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-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR HDAC1 2296/4885HDAC3 1068/4885HDAC2 2783/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HDAC1 2296/4885HDAC3 1068/4885HDAC2 2783/4885

“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.