SCHEMBL16232117

SCHEMBL16232117

CC(C)(C)OC(=O)N1CC(C(N)c2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.47
HDAC1 Q13547 2/20 0.47
DPP4 P27487 2/20 0.44
MMP13 P45452 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RORC P51449 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
BACE1 P56817 2/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
USP30 Q70CQ3 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 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
SCHEMBL29977752 1.00 HDAC2 (0.47) HDAC2HDAC1DPP4MMP13MEN1
SCHEMBL23211978 0.88 HDAC1 (0.46) HDAC2HDAC1DPP4MMP13MEN1
SCHEMBL18685451 0.88 GPR119 (0.48) DPP4MMP13MEN1KMT2ANPC1
SCHEMBL18685276 0.88 GPR119 (0.48) DPP4MMP13MEN1KMT2ANPC1
SCHEMBL21384664 0.88 HDAC1 (0.46) HDAC2HDAC1DPP4MMP13MEN1
SCHEMBL16225169 0.85 ALDH1A1 (0.39) HDAC2HDAC1DPP4NPC1ALDH1A1
SCHEMBL16232129 0.85 ALDH1A1 (0.39) HDAC2HDAC1DPP4NPC1ALDH1A1
SCHEMBL16232130 0.85 ALDH1A1 (0.39) HDAC2HDAC1DPP4NPC1ALDH1A1
SCHEMBL16225250 0.85 LIPE (0.52) DPP4NPC1ALDH1A1MAPTMAPK1
SCHEMBL31668195 0.81 HDAC1 (0.43) HDAC2HDAC1MMP13MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
CN-103781763-B Amine derivatives as potassium channel blockers 生态学有限公司 2017-03-22 CN disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
CN-103781763-A Amine derivatives as potassium channel blockers BIONOMICS LTD 2014-05-07 CN 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 (4 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 HDAC2 626/4885HDAC1 986/4885DPP4 2324/4885
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK HDAC2 274/4885HDAC1 833/4885DPP4 5/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 HDAC2 626/4885HDAC1 986/4885DPP4 2324/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 HDAC2 626/4885HDAC1 986/4885DPP4 2324/4885

“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.