SCHEMBL2647011

SCHEMBL2647011

COC(=O)c1ccc(CNc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2654385 1.00 CA1 (0.63) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2654897 0.92 CA1 (0.54) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL16767423 0.89 RAB9A (0.61) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7560695 0.86 CA1 (0.47) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2647028 0.85 HAO1 (0.52) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7560701 0.85 GCGR (0.48) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL1790000 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2949436 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2944396 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL22453473 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTNPC1EPHX2

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 10 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-20040127560-A1 Glucagon antagonists/inverse agonists MADSEN PETER (DK) 2004-07-01 US disclosed
US-6706744-B2 HYPOGLYCEMIC AGENTS; ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2004-03-16 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
US-20030065031-A1 Glucagon antagonists/inverse agonists PFIZER INC 2003-04-03 US disclosed
EP-1296942-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS Novo Nordisk A/S (DK) 2003-04-02 EP disclosed
US-20020143186-A1 Glucagon antagonists/inverse agonists PFIZER INC 2002-10-03 US disclosed
WO-2002040444-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 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 (4 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-20040127560-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4668/4885CA2 3329/4885ALDH1A1 4014/4885
US-20030065031-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4668/4885CA2 3329/4885ALDH1A1 4014/4885
US-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4725/4885CA2 3711/4885ALDH1A1 4046/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR CA1 4725/4885CA2 3711/4885ALDH1A1 4046/4885

“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.