SCHEMBL4081948

SCHEMBL4081948

CC(C)(C)C1CCC(C(NC(=O)Nc2ccc(Cl)cc2)c2ccc(C(=O)Nc3nnn[nH]3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 2/20 0.39
AKT1 P31749 1/20 0.38
XDH P47989 1/20 0.38
NT5E P21589 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
MAPK1 P28482 1/20 0.36
WDR91 A4D1P6 1/20 0.36

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
SCHEMBL4092673 0.82 CNR1 (0.45) NPC1RAB9ASMN1; SMN2KMT2ACNR1
SCHEMBL4085970 0.80 KMT2A (0.51) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4087861 0.79 FLT3 (0.45)
SCHEMBL4091225 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2NAMPTKMT2A
SCHEMBL4088082 0.79 GCGR (0.43)
SCHEMBL4081053 0.78 GCGR (0.56)
SCHEMBL4095583 0.77 GCGR (0.56)
SCHEMBL4086614 0.77 GCGR (0.56)
SCHEMBL4085792 0.77 MAPT (0.41) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL4081944 0.76 GCGR (0.59)

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 NPC1 1959/4885RAB9A 2980/4885SMN1; SMN2 3528/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR NPC1 1959/4885RAB9A 2980/4885SMN1; SMN2 3528/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR NPC1 1959/4885RAB9A 2980/4885SMN1; SMN2 3528/4885

“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.