Sugi Predict

Sugi Predict / Compounds / SCHEMBL2643657

SCHEMBL2643657

SCHEMBL2643657

COC(C)(C)n1nnc(CC(=O)c2ccc(CNC3CCC(C(C)(C)C)CC3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HDAC1 Q13547 1/20 0.35
▸ METTL3 Q86U44 1/20 0.35
▸ BCHE P06276 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ PRKD1 Q15139 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL2656129 0.82 HPGD (0.37) ALDH1A1HDAC1BCHEACHEHPGD
SCHEMBL2643163 0.74 ALDH1A1 (0.60) ALDH1A1HDAC1ALPLHPGDLMNA
SCHEMBL2643164 0.74 ALDH1A1 (0.60) ALDH1A1HDAC1ALPLHPGDLMNA
SCHEMBL4092949 0.74 ALDH1A1 (0.60) ALDH1A1HDAC1ALPLHPGDLMNA
SCHEMBL2643254 0.71 ALDH1A1 (0.44) ALDH1A1HDAC1ENPP2ALPLMEN1
SCHEMBL2643255 0.71 ALDH1A1 (0.44) ALDH1A1HDAC1ENPP2ALPLMEN1
SCHEMBL13799812 0.71 HDAC1 (0.50) ALDH1A1HDAC1ENPP2ALPLMEN1
SCHEMBL6827858 0.70 HDAC1 (0.49) ALDH1A1HDAC1ENPP2ALPLMEN1
SCHEMBL2660537 0.67 HDAC1 (0.46) ALDH1A1HDAC1PRKD1ALPLHPGD
SCHEMBL2659480 0.67 GCGR (0.49) ALDH1A1HDAC1MEN1KMT2AL3MBTL1

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
EP-1345890-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-09-24 — — EP disclosed
US-20020187982-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2002-12-12 — — US disclosed
WO-2002040445-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 — — 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-20020187982-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PTGDR2 415/4885ALDH1A1 3770/4885HDAC1 2196/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR PTGDR2 415/4885ALDH1A1 3770/4885HDAC1 2196/4885

“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.