Sugi Predict

Sugi Predict / Compounds / SCHEMBL4086914

SCHEMBL4086914

SCHEMBL4086914

CC(C)(C)C1CCC(C(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.43
▸ PDE2A O00408 4/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ GCGR P47871 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ GIPR P48546 2/20 0.40
▸ ADCY6 O43306 1/20 0.40
▸ ADCY3 O60266 1/20 0.40
▸ ADCY9 O60503 1/20 0.40
▸ ADCY5 O95622 1/20 0.40
▸ ADCY8 P40145 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
SCHEMBL4085792 0.88 MAPT (0.41) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL4092016 0.86 MAPT (0.41) MEN1KMT2AMAPTCASP3NPSR1
SCHEMBL4092812 0.82 NPC1 (0.49) TRPV1PDE2AMEN1KMT2ATP53
SCHEMBL2659919 0.82 EPHX2 (0.54) TRPV1PDE2AGCGRGIPRADCY6
SCHEMBL2659918 0.82 EPHX2 (0.54) TRPV1PDE2AGCGRGIPRADCY6
SCHEMBL4096553 0.82 EPHX2 (0.53) TRPV1PDE2AGCGRGIPRADCY6
SCHEMBL4096367 0.82 EPHX2 (0.53) TRPV1PDE2AGCGRGIPRADCY6
SCHEMBL4096368 0.82 EPHX2 (0.53) TRPV1PDE2AGCGRGIPRADCY6
SCHEMBL4091871 0.82 EPHX2 (0.54) TRPV1PDE2AGCGRGIPRADCY6
SCHEMBL4086905 0.79 GCGR (0.67) GCGRGIPRADCY6ADCY3ADCY9

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 TRPV1 1930/4885PDE2A 404/4885MEN1 2079/4885
US-20090143592-A1 Glucagon Antagonists/Inverse Agonists GLP1R, GPR119, GCGR TRPV1 1930/4885PDE2A 404/4885MEN1 2079/4885
US-20030220350-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR TRPV1 1930/4885PDE2A 404/4885MEN1 2079/4885

“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.