SCHEMBL12326878

SCHEMBL12326878

COC(=O)c1ccc(C(C#N)CCC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 1/20 0.41
MAPT P10636 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DPP4 P27487 2/20 0.38

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
SCHEMBL14551389 0.89 KMT2A (0.41) RAPGEF3MAPTCA1CA2TDP1
SCHEMBL20504196 0.81 MAPT (0.46) RAPGEF3MAPTCA1CA2TDP1
SCHEMBL1765761 0.80 RIPK1 (0.56) MAPTCA1CA2TDP1CA12
SCHEMBL14550541 0.78 DPP4 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL12326148 0.78 DPP4 (0.52) MAPTCA1CA2TDP1CA12
SCHEMBL14553124 0.77 MAPT (0.42) MAPTCA1CA2TDP1CA12
SCHEMBL8695606 0.75 KMT2A (0.55) MAPTCA1CA2TDP1KMT2A
SCHEMBL25525563 0.75 KMT2A (0.55) MAPTCA1CA2TDP1KMT2A
SCHEMBL12327469 0.75 MAPT (0.41) MAPTCA1CA2TDP1CA12
SCHEMBL1198363 0.73 CYP4F2 (0.43) MAPTLOXL2KMT2AMEN1CYP3A4

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
EP-2350020-B1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-13 EP disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 WO disclosed
WO-2010039789-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-04-08 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-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR RAPGEF3 435/4885MAPT 4833/4885CA1 4002/4885

“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.