SCHEMBL2646748

SCHEMBL2646748

COC(=O)c1ccc(C(NC(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.47
GIPR P48546 1/20 0.47
NPC1 O15118 3/20 0.47
EPHX2 P34913 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DEGS1 O15121 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL2647912 0.90 GCGR (0.49) GCGRGIPREPHX2ALDH1A1HDAC3
SCHEMBL2647133 0.87 GCGR (0.58) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2647136 0.87 GCGR (0.58) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2654362 0.84 GCGR (0.68) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL2654361 0.84 GCGR (0.68) GCGRGIPREPHX2HDAC3HDAC11
SCHEMBL4087091 0.83 GCGR (0.52) GCGRGIPREPHX2CYP2D6HDAC3
SCHEMBL4095552 0.81 GCGR (0.47) GCGRGIPRHDAC3HDAC11HDAC8
SCHEMBL2646743 0.77 GCGR (0.73) GCGRGIPRMEN1KMT2A
SCHEMBL2651593 0.73 GCGR (0.52) GCGRGIPREPHX2FAAH
SCHEMBL2651592 0.73 GCGR (0.52) GCGRGIPREPHX2FAAH

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-6953812-B2 Glucagon antagonists/inverse agonists NOVO NORDISK, INC. (DK) 2005-10-11 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-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

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-20040024045-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GIPR 4/4885NPC1 562/4885
US-20020143186-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GIPR 4/4885NPC1 562/4885

“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.