SCHEMBL4092949

SCHEMBL4092949

COC(=O)c1ccc(CN[C@H]2CC[C@@H](C(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
HDAC1 Q13547 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CHEK1 O14757 1/20 0.45
ALPL P05186 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
EPHX1 P07099 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL2643163 1.00 ALDH1A1 (0.60) ALDH1A1CA1CA2HDAC1LOXL2
SCHEMBL2643164 1.00 ALDH1A1 (0.60) ALDH1A1CA1CA2HDAC1LOXL2
SCHEMBL2734359 0.91 HDAC1 (0.55) ALDH1A1CA1CA2HDAC1LOXL2
SCHEMBL2651787 0.87 HDAC1 (0.51) ALDH1A1CA1CA2HDAC1LOXL2
SCHEMBL13799812 0.86 HDAC1 (0.50) ALDH1A1HDAC1CHEK1ALPL
SCHEMBL2659813 0.86 HDAC1 (0.50) ALDH1A1CA1CA2HDAC1LOXL2
SCHEMBL2659811 0.86 HDAC1 (0.50) ALDH1A1CA1CA2HDAC1LOXL2
SCHEMBL5070257 0.85 HDAC1 (0.64) ALDH1A1CA1CA2HDAC1LOXL2
Trifluoroacetic Acid SCHEMBL31337868 0.85 HDAC1 (0.47) ALDH1A1CA1CA2HDAC1LOXL2
SCHEMBL6827858 0.84 HDAC1 (0.49) ALDH1A1HDAC1CHEK1ALPL

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-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-20050203108-A1 Glucagon antagonists/inverse agonists PFIZER INC 2005-09-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885CA1 4464/4885CA2 3233/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885CA1 4464/4885CA2 3233/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ALDH1A1 3968/4885CA1 4464/4885CA2 3233/4885

“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.