SCHEMBL3564440

SCHEMBL3564440

CN1CCN(C(=O)OC(C)(C)C)CC1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
NR1H2 P55055 2/20 0.41
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 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
SCHEMBL12524861 1.00 USP2 (0.42) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL2224868 0.88 ALDH1A1 (0.43) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL4353389 0.86 USP2 (0.44) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL191941 0.86 USP2 (0.44) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL28303686 0.86 USP2 (0.44) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL5479849 0.84 NR1H2 (0.44) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL1536052 0.84 USP2 (0.42) USP2SMN1; SMN2GPR119NR1H2MMP1
Lithium Ion SCHEMBL1536049 0.83 MMP1 (0.42) USP2SMN1; SMN2GPR119NR1H2MMP1
SCHEMBL30289256 0.83 MMP1 (0.45) USP2SMN1; SMN2NR1H2MMP1MMP3
SCHEMBL1536816 0.83 MMP1 (0.45) USP2SMN1; SMN2NR1H2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
CN-101456841-B Amide derivative and medicine NIPPON SHINYAKU CO LTD 2012-01-25 CN disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 US disclosed
CN-100526298-C Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2009-08-12 CN disclosed
CN-101456841-A Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2009-06-17 CN disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
CN-1898208-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2007-01-17 CN disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 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 (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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B USP2 2918/4885SMN1; SMN2 2921/4885GPR119 1966/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR USP2 1714/4885SMN1; SMN2 4694/4885GPR119 1780/4885

“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.