SCHEMBL2654944

SCHEMBL2654944

CC(C)(C)C1CC=C(c2ccc(N)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ESR2 Q92731 1/20 0.36
CES2 O00748 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TBK1 Q9UHD2 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
SCHEMBL19203342 0.80 ALDH1A1 (0.39) LMNAESR2ALDH1A1
SCHEMBL2658683 0.79 LMNA (0.36) LMNAESR2CES2
SCHEMBL2657608 0.79 LMNA (0.36) LMNAESR2CES2
SCHEMBL2658518 0.79 LMNA (0.36) LMNAESR2CES2
SCHEMBL8785666 0.76 ALDH1A1 (0.36) LMNACES2ALDH1A1TP53
SCHEMBL2947093 0.74 MEN1 (0.43) CES2ALDH1A1CYP3A4TDP1
SCHEMBL19440749 0.73 PTGS2 (0.46) LMNACES2
SCHEMBL3228269 0.73 LMNA (0.32) LMNA
SCHEMBL14769174 0.72 GPR119 (0.34) ESR2
SCHEMBL15187972 0.70 TRPV3 (0.41) LMNAESR2TBK1

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-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 US disclosed
US-6821960-B2 Glucagon antagonists/inverse agonists NOYO NORDISK PHARMACEUTICALS, INC. 2004-11-23 US disclosed
US-20040024045-A1 Glucagon antagonists/inverse agonists PFIZER INC 2004-02-05 US disclosed
US-6562807-B2 For prophylaxis and therapy of hyperglycemia, Type 1 diabetes, Type 2 diabetes, disorders of the lipid metabolism, such as dyslipidemia, and obesity NOVO NORDISK A/S (DK) 2003-05-13 US disclosed
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
US-20030027849-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-02-06 US disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 WO disclosed
WO-2002000612-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-01-03 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 (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-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LMNA 3293/4885ESR2 191/4885CES2 2343/4885
US-20030027849-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LMNA 3715/4885ESR2 202/4885CES2 2616/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LMNA 3293/4885ESR2 191/4885CES2 2343/4885

“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.