SCHEMBL15520404

SCHEMBL15520404

COC1CC(CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.37
NR1H2 P55055 1/20 0.35
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SRC P12931 4/20 0.31
PARP1 P09874 2/20 0.31

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
SCHEMBL15520406 1.00 UCHL1 (0.37) UCHL1NR1H2ABCB1ALDH1A1CHRM2
SCHEMBL30538732 0.90 NR1H2 (0.35) NR1H2ABCB1ALDH1A1CHRM2CHRM1
SCHEMBL393307 0.87 ALDH1A1 (0.38) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1861180 0.87 ALDH1A1 (0.38) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL1861179 0.87 ALDH1A1 (0.38) NR1H2ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3245496 0.86 GPR119 (0.34) NR1H2ABCB1ALDH1A1CHRM2CHRM1
SCHEMBL30530778 0.86 NR1H2 (0.37) NR1H2ABCB1ALDH1A1CHRM2CHRM1
SCHEMBL30732601 0.86 ABCB1 (0.35) NR1H2ABCB1ALDH1A1TSHRSRC
SCHEMBL13938736 0.86 GPR119 (0.34) NR1H2ABCB1ALDH1A1CHRM2CHRM1
SCHEMBL15519418 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708540-B1 PYRIMIDO-DIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-07-25 EP disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
EP-2708540-A1 PYRIMIDO-DIAZEPINONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2014-03-19 EP 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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 UCHL1 4316/4885NR1H2 666/4885ABCB1 1483/4885

“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.