SCHEMBL4092016

SCHEMBL4092016

CC(C)(C)C1CCC(C(NC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
MAPK1 P28482 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
AURKB Q96GD4 1/20 0.39
P2RX1 P51575 1/20 0.38
DHODH Q02127 1/20 0.37
GCGR P47871 1/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
POLB P06746 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ACKR3 P25106 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL4085792 0.94 MAPT (0.41) MAPTMAPK1RAB9ANPC1LMNA
SCHEMBL4086914 0.86 TRPV1 (0.43) MAPTMAPK1LMNAGCGRMEN1
SCHEMBL4087695 0.81 RAB9A (0.53) MAPTRAB9ANPC1LMNAMEN1
SCHEMBL2662130 0.81 GCGR (0.42) MAPTRAB9ALMNADHODHGCGR
SCHEMBL4088337 0.80 KMT2A (0.50) GCGRMEN1KMT2APOLBNPSR1
SCHEMBL4092011 0.78 GCGR (0.64) GCGR
SCHEMBL4082036 0.77 GCGR (0.61) GCGR
SCHEMBL4082033 0.77 GCGR (0.61) GCGR
SCHEMBL4095583 0.77 GCGR (0.56) GCGR
SCHEMBL4086614 0.77 GCGR (0.56) GCGR

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 5 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-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 (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-20050203108-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR MAPT 4379/4885MAPK1 380/4885RAB9A 2980/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR MAPT 4379/4885MAPK1 380/4885RAB9A 2980/4885

“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.