SCHEMBL423782

SCHEMBL423782

CC[N]C(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CHKA P35790 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
SIGMAR1 Q99720 2/20 0.36
HSD11B1 P28845 1/20 0.35
KMT2A Q03164 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CHEK1 O14757 1/20 0.33

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
SCHEMBL965284 0.80 L3MBTL1 (0.42) KMT2AHPGD
SCHEMBL2197708 0.76 CA2 (0.48) CA2CA12CA1CA9CHKA
SCHEMBL968486 0.75 HTT (0.50) CA12CA1CA9KMT2A
SCHEMBL564290 0.75 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL1037957 0.75 CA2 (0.52) CA2CA12CA1CA9CHKA
SCHEMBL1965663 0.74 CA2 (0.46) CA2CA12CA1CA9CHKA
Bromoethane SCHEMBL28759154 0.72 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL894533 0.71 CHRNB2 (0.50) CA2CA12CA1CA9CHKA
SCHEMBL92508 0.71 CHRNB2 (0.50) CA2CA12CA1CA9CHKA
Ammonia Solution, Strong SCHEMBL28864143 0.70 CHRNB2 (0.48) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109235-A1 METHOD OF PRODUCING PYRIDONE DERIVATIVES Shionogi & Co., Ltd (JP) 2016-12-28 EP disclosed
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
EP-2412709-B1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO (JP) 2016-05-18 EP disclosed
US-9260453-B2 Method for producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-02-16 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2015-01-29 US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 US disclosed
EP-2412709-A1 PROCESS FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES Shionogi & Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2012-01-26 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-20150031876-A1 METHOD FOR PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 CA2 3719/4885CA12 4519/4885CA1 4226/4885
US-20120022251-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 CA2 3584/4885CA12 4518/4885CA1 4153/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 CA2 3584/4885CA12 4518/4885CA1 4153/4885

“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.