SCHEMBL10139708

SCHEMBL10139708

CC(C)(C)OC(=O)N1C2CCC1C(c1cnc(N)c(-c3ccc(C(N)=O)cc3)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.42
CHEK1 O14757 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
FYN P06241 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MAP4K4 O95819 2/20 0.40
GPR119 Q8TDV5 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
SCHEMBL15006940 0.91 CHRNB2 (0.43) CHEK2CHRNB2CHRNA4FYN
SCHEMBL15006984 0.89 GPR119 (0.38) CHEK2FYNGPR119
SCHEMBL15024919 0.88 GPR119 (0.37) MAP4K4GPR119
SCHEMBL15006726 0.88 CHRNB2 (0.43) CHRNB2CHRNA4MAP4K4
SCHEMBL10138669 0.88 CHRM2 (0.36) CHRNB2CHRNA4GPR119
SCHEMBL15006886 0.87 PIK3CA (0.44) FYNGPR119
SCHEMBL10139212 0.86 CHRM2 (0.38) GPR119
SCHEMBL10139707 0.86 GPR119 (0.40) CHEK2CHRNB2GPR119
SCHEMBL15024744 0.85 WNT3A (0.41) GPR119
SCHEMBL10138721 0.84 UCHL1 (0.36) GPR119

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606052-B1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2016-06-01 EP disclosed
US-9284322-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2016-03-15 US disclosed
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2015-06-04 US disclosed
US-8981102-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-03-17 US disclosed
US-8981102-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-03-17 US disclosed
US-20130150373-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 US disclosed
WO-2012024615-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-23 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 (2 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-20130150373-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNG, CHRNA7, CHRNA2 CHEK2 2159/4885CHEK1 3527/4885CHRNB2 11/4885
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNG, CHRNA7, CHRNA2 CHEK2 2159/4885CHEK1 3527/4885CHRNB2 11/4885

“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.