SCHEMBL4096606

SCHEMBL4096606

O=C(O)CCNC(=O)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.45
GLP1R P43220 1/20 0.45
ACKR3 P25106 8/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GIPR P48546 7/20 0.40
EPHX2 P34913 1/20 0.38

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
SCHEMBL2663152 0.86 GCGR (0.58) GCGRGLP1RTMEM97SIGMAR1GIPR
SCHEMBL7080636 0.84 SLC6A9 (0.39) GCGRGLP1RTMEM97SIGMAR1
SCHEMBL6485438 0.81 NR1D1 (0.36) GCGRGLP1RTMEM97SIGMAR1
SCHEMBL2662994 0.74 GCGR (0.42) GCGRGLP1RGIPREPHX2
SCHEMBL2663028 0.74 NPC1 (0.49) GCGRACKR3GIPR
SCHEMBL4091423 0.74 ACKR3 (0.52) ACKR3
SCHEMBL2663205 0.72 GCGR (0.57) GCGRGLP1REPHX2
SCHEMBL2650667 0.72 LSS (0.58) GCGRGLP1RTMEM97SIGMAR1GIPR
SCHEMBL2662527 0.72 HDAC1 (0.39) GCGRGLP1RACKR3EPHX2
SCHEMBL2663133 0.71 GCGR (0.55) GCGRGLP1RGIPREPHX2

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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US claimed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists NOVO NORDISK A/S (DK) 2009-06-04 US disclosed
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-6503949-B1 Treating Type 2 diabetes, hyperglycemia, impaired glucose tolerance or obesity NORO NORDISK A/S (DK) 2003-01-07 US disclosed
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 CN 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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 GCGR 73/4885GLP1R 26/4885ACKR3 328/4885
US-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR GCGR 3/4885GLP1R 1/4885ACKR3 642/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR GCGR 3/4885GLP1R 1/4885ACKR3 642/4885

“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.