SCHEMBL2656545

SCHEMBL2656545

CCOC(=O)CCNC(=O)c1ccc(C(COc2cc(C)c(Br)c(C)c2)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.39
GCG P01275 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL2656629 0.84 GCGR (0.54) MAPTSMN1; SMN2ALDH1A1GCGNPC1
SCHEMBL2655853 0.84 GCGR (0.49) MAPTSMN1; SMN2GCGNPC1RAB9A
SCHEMBL2656547 0.80 MAPT (0.48) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL2657600 0.79 MAPT (0.49) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL2653571 0.75 ADRB2 (0.41) MAPTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL2646225 0.75 MAPT (0.49) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL23782641 0.74 HPGD (0.61) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL1765307 0.73 GCGR (0.46) MAPTSMN1; SMN2GCG
SCHEMBL2655050 0.72 GCGR (0.60) GCG
SCHEMBL1765192 0.71 GCGR (0.41) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C19

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-8076374-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; 3-{4-[1-Allyl-1-(4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoylamino}-propionic acid; ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
EP-1951659-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-07-14 EP disclosed
US-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-25 US disclosed
EP-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO 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 (1 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-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR MAPT 4731/4885SMN1; SMN2 3242/4885CYP1A2 2107/4885

“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.