SCHEMBL4095979

SCHEMBL4095979

O=C(O)CCNC(=O)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
GLP1R P43220 1/20 0.53
GCGR P47871 1/20 0.53
TSHR P16473 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
ALOX12 P18054 1/20 0.45
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2663205 0.83 GCGR (0.57) GLP1RGCGRTDP1MEN1KMT2A
SCHEMBL2663152 0.80 GCGR (0.58) GLP1RGCGR
SCHEMBL2663009 0.73 GCGR (0.79) HDAC1GLP1RGCGRNPC1RAB9A
SCHEMBL5045742 0.73 NPC1 (0.65) HDAC1NPC1RAB9AMAPTALDH1A1
SCHEMBL1858952 0.72 NPC1 (0.62) TSHRNPC1RAB9AMAPTALDH1A1
SCHEMBL11717444 0.72 NPC1 (0.76) NPC1RAB9AALDH1A1PKMALOX12
SCHEMBL9071167 0.72 GCGR (0.54) GCGRHPGDMAPT
SCHEMBL17704542 0.71 TDP1 (0.62) HDAC1HDAC2TSHRNPC1HPGD
SCHEMBL16706709 0.71 FAAH (0.48) TSHRHPGDMAPTTDP1ALDH1A1
SCHEMBL2662956 0.70 GCGR (0.61) HDAC1HDAC2GLP1RGCGR

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 8 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

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 HDAC1 2296/4885HDAC2 2783/4885GLP1R 1/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR HDAC1 2296/4885HDAC2 2783/4885GLP1R 1/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HDAC1 2296/4885HDAC2 2783/4885GLP1R 1/4885

“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.