SCHEMBL2686071

SCHEMBL2686071

NC(=O)C1CCC(C(=O)N2CCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.75
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
CHRNB3 Q05901 1/20 0.52
CHRNA6 Q15825 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL17907473 0.98 HPGD (0.79) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL1221883 0.98 HPGD (0.79) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL2939314 0.98 HPGD (0.79) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL4556914 0.98 HPGD (0.79) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL8108012 0.98 HPGD (0.79) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL2938836 0.98 HPGD (0.79) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL2688840 0.91 ALDH1A1 (0.60) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL3397034 0.89 HPGD (0.58) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL806748 0.89 HPGD (0.95) HPGDALDH1A1TSHRHTTCHRNB2
SCHEMBL19658219 0.89 HPGD (0.95) HPGDALDH1A1TSHRHTTCHRNB2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP claimed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US claimed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US claimed
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 claimed
EP-2079727-A2 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-07-22 EP claimed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US claimed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 WO claimed
US-11254082-B2 Multi-layer tube UBE INDUSTRIES, LTD. (JP) 2022-02-22 US disclosed
US-10663092-B2 Multilayer tube UBE INDUSTRIES, LTD. (JP) 2020-05-26 US disclosed
EP-3042758-B1 LAMINATED TUBE UBE INDUSTRIES (JP) 2020-05-06 EP disclosed
EP-3461631-A1 MULTILAYER TUBE Ube Industries, Ltd. (JP) 2019-04-03 EP disclosed
EP-3192650-B1 LAYERED TUBE UBE INDUSTRIES (JP) 2019-01-23 EP disclosed
US-20170261133-A1 MULTILAYER TUBE UBE INDUSTRIES, LTD. (JP) 2017-09-14 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-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 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
EP-2079727-A2 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-07-22 EP disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 WO 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HPGD 2939/4885ALDH1A1 4300/4885TSHR 4114/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 HPGD 2939/4885ALDH1A1 4300/4885TSHR 4114/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HPGD 2939/4885ALDH1A1 4300/4885TSHR 4114/4885

“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.