SCHEMBL2442693

SCHEMBL2442693

N[C@H]1CCN(CCO)C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50
APEX1 P27695 1/20 0.50
DPP4 P27487 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ACE P12821 1/20 0.33
PIK3CD O00329 1/20 0.32
KMT2A Q03164 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 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
SCHEMBL31291796 1.00 CYP3A4 (0.50) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL2442696 1.00 CYP3A4 (0.50) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL30569380 0.98 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2460929 0.98 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2460925 0.98 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2459210 0.87 TSHR (0.41) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2459204 0.87 TSHR (0.41) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2461749 0.85 CYP3A4 (0.40) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL2461746 0.85 CYP3A4 (0.40) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL30877547 0.82 CYP3A4 (0.47) CYP3A4TSHRTDP1MAPTAPEX1

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 33 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
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
CN-101553482-B Kinase inhibitor compounds XCOVERY INC 2013-11-20 CN disclosed
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-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 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
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
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
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 (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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 CYP3A4 4408/4885TSHR 4114/4885TDP1 794/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 CYP3A4 4408/4885TSHR 4114/4885TDP1 794/4885

“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.