SCHEMBL2687128

SCHEMBL2687128

COCCN1CC[C@H](N)C1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
MMP1 P03956 5/20 0.36
MMP3 P08254 5/20 0.36
ALDH1A1 P00352 2/20 0.34
PARP1 P09874 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GBA1 P04062 1/20 0.33
PIK3CD O00329 1/20 0.33
KAT2B Q92831 1/20 0.32

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
SCHEMBL10268571 0.90 MMP1 (0.39) DPP4CYP3A4TSHRTDP1MAPT
Hydrochloric Acid SCHEMBL319091 0.88 MMP1 (0.39) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL6522401 0.88 MMP1 (0.43) DPP4CYP3A4TSHRTDP1MAPT
Hydrochloric Acid SCHEMBL15124307 0.88 MMP1 (0.39) DPP4CYP3A4TSHRTDP1MAPT
Hydrochloric Acid SCHEMBL15124169 0.87 MMP1 (0.43) DPP4CYP3A4TSHRTDP1MAPT
Hydrochloric Acid SCHEMBL15124168 0.87 MMP1 (0.43) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL26761122 0.80 PIK3CD (0.53) MMP1MMP3ALDH1A1PIK3CD
SCHEMBL2038451 0.79 CYP3A4 (0.45) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL2038447 0.79 CYP3A4 (0.45) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL12251962 0.79 CYP3A4 (0.45) DPP4CYP3A4TSHRTDP1MAPT

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 40 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
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-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 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-2008153942-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-12-18 WO disclosed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 WO 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 DPP4 2251/4885CYP3A4 4408/4885TSHR 4114/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 DPP4 2251/4885CYP3A4 4408/4885TSHR 4114/4885
US-20130190289-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS SLC10A1, ACE, CEL DPP4 143/4885CYP3A4 1692/4885TSHR 4178/4885

“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.