SCHEMBL4087843

SCHEMBL4087843

O=C(O)CCNC(=O)c1ccc(C(CC2(O)CCCCC2)NC(=O)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
GSK3B P49841 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
RAB9A P51151 9/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4092103 0.77 MAPT (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4087841 0.77 RAB9A (0.46) NAMPTGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL2408427 0.66 KMT2A (0.66) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2648396 0.66 MAPK9 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL19449475 0.65 NPC1 (0.73) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL27179668 0.65 RAB9A (0.90) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4081680 0.65 GCG (0.48) RAB9ANPC1SMN1; SMN2
SCHEMBL27182521 0.63 ITGB3 (0.56) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL107421 0.63 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3141349 0.63 ITGB3 (0.58) ITGB3ITGA2BRAB9AKMT2AMEN1

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-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

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 NAMPT 1813/4885GSK3B 753/4885ITGB3 4583/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR NAMPT 1813/4885GSK3B 753/4885ITGB3 4583/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR NAMPT 1813/4885GSK3B 753/4885ITGB3 4583/4885

“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.