SCHEMBL4091423

SCHEMBL4091423

O=C(O)CCNC(=O)c1ccc(CN(CCc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 9/20 0.52
FFAR1 O14842 3/20 0.45
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
ACHE P22303 1/20 0.43
SRD5A2 P31213 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
NR3C1 P04150 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2663144 0.88 ACKR3 (0.45) ACKR3FFAR1ACHENR3C1NPC1
SCHEMBL2663137 0.84 ACHE (0.54) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2663028 0.77 NPC1 (0.49) ACKR3NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4096606 0.74 GCGR (0.45) ACKR3
SCHEMBL2661984 0.72 AKT3 (0.42) ACKR3
SCHEMBL4087544 0.71 KDM4E (0.44) RAB9ASMN1; SMN2
SCHEMBL2663063 0.69 KMT2A (0.51) NPC1USP2RAB9ASMN1; SMN2L3MBTL1
SCHEMBL31687502 0.69 ACKR3 (1.00) ACKR3
SCHEMBL2203343 0.68 HDAC1 (0.80) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL2169060 0.68 PPARD (0.55) SMN1; SMN2

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-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-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
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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ACKR3 642/4885FFAR1 72/4885PLAAT3 1932/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR ACKR3 642/4885FFAR1 72/4885PLAAT3 1932/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR ACKR3 642/4885FFAR1 72/4885PLAAT3 1932/4885

“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.