SCHEMBL4760487

SCHEMBL4760487

CN(C)C(=O)C1CCCC(N)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
MME P08473 1/20 0.36
DPP4 P27487 2/20 0.36
GLI1 P08151 1/20 0.35
KDM1A O60341 1/20 0.34
ULK1 O75385 3/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SMYD3 Q9H7B4 4/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
Hydrochloric Acid SCHEMBL2378323 0.98 BCHE (0.36) BCHEMMEDPP4GLI1KDM1A
SCHEMBL4760467 0.88 DPP4 (0.34) BCHEDPP4GLI1
SCHEMBL13275204 0.81 DPP4 (0.37) BCHEDPP4GLI1
SCHEMBL668995 0.81 DPP4 (0.37) BCHEDPP4GLI1
SCHEMBL4639228 0.80
Hydrochloric Acid SCHEMBL28625862 0.78 BCHE (0.42) BCHEMMEDPP4GLI1CTSB
SCHEMBL19014414 0.78 BCHE (0.37) BCHEMMEDPP4GLI1KEAP1
SCHEMBL23960485 0.77 KDM1A (0.36) KDM1AULK1SMYD3
SCHEMBL8284979 0.77 KDM1A (0.36) KDM1AULK1SMYD3
SCHEMBL16199056 0.77 KDM1A (0.36) KDM1AULK1SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 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 (6 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 BCHE 2056/4885MME 2592/4885DPP4 2251/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 BCHE 2056/4885MME 2592/4885DPP4 2251/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 BCHE 2056/4885MME 2592/4885DPP4 2251/4885
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase ENGASE, ENPEP, CPN1 BCHE 457/4885MME 7/4885DPP4 236/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 BCHE 2056/4885MME 2592/4885DPP4 2251/4885
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 BCHE 4633/4885MME 4127/4885DPP4 1939/4885

“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.