SCHEMBL4092812

SCHEMBL4092812

CC(C)(C)C1CCC(C(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
RAB9A P51151 10/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
PKM P14618 3/20 0.49
TP53 P04637 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 1/20 0.46
ABL1 P00519 1/20 0.45
TRPV1 Q8NER1 2/20 0.45
GCGR P47871 2/20 0.45
GIPR P48546 2/20 0.45
NAMPT P43490 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL4091225 0.88 NPC1 (0.59) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4087695 0.85 RAB9A (0.53) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4091871 0.84 EPHX2 (0.54) HPGDTRPV1GCGRGIPRALDH1A1
SCHEMBL4096368 0.84 EPHX2 (0.53) HPGDTRPV1GCGRGIPRALDH1A1
SCHEMBL4096553 0.84 EPHX2 (0.53) HPGDTRPV1GCGRGIPRALDH1A1
SCHEMBL4096367 0.84 EPHX2 (0.53) HPGDTRPV1GCGRGIPRALDH1A1
SCHEMBL2659919 0.84 EPHX2 (0.54) HPGDTRPV1GCGRGIPRALDH1A1
SCHEMBL2659918 0.84 EPHX2 (0.54) HPGDTRPV1GCGRGIPRALDH1A1
SCHEMBL4086914 0.82 TRPV1 (0.43) SMN1; SMN2TP53MEN1KMT2ATRPV1
SCHEMBL6191013 0.81 GCGR (0.63) TRPV1GCGRGIPRNAMPTPDE2A

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.