SCHEMBL2625814

SCHEMBL2625814

CC(C)C1CCN(C(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
MAPT P10636 1/20 0.38
PIK3CD O00329 1/20 0.34
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32
TLR4 O00206 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL18883354 1.00 DPP4 (0.39) DPP4MAPTPIK3CDPER2CRY2
SCHEMBL18821184 1.00 DPP4 (0.39) DPP4MAPTPIK3CDPER2CRY2
SCHEMBL18821191 0.87 ACE (0.36) DPP4MAPTPIK3CDPER2CRY2
SCHEMBL12545572 0.87 ACE (0.36) DPP4MAPTPIK3CDPER2CRY2
SCHEMBL18883357 0.87 ACE (0.36) DPP4MAPTPIK3CDPER2CRY2
SCHEMBL23791957 0.84 MAPT (0.39) DPP4MAPTPIK3CDL3MBTL1
SCHEMBL16472302 0.80 DPP4 (0.42) DPP4MAPTPIK3CDL3MBTL1
SCHEMBL16472346 0.80 DPP4 (0.42) DPP4MAPTPIK3CDL3MBTL1
SCHEMBL16472394 0.80 DPP4 (0.42) DPP4MAPTPIK3CDL3MBTL1
SCHEMBL16472435 0.77 PIK3CD (0.52) DPP4MAPTPIK3CDPER2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP disclosed
US-11787812-B2 Substituted pyrazolo[4,3-d]pyrimidines and imidazo[5,1 -f][1,2,4]triazines as androgen receptor and phosphodiesterase dual inhibitors ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-10-17 US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 US disclosed
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-10-31 US disclosed
US-10179793-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-01-15 US disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 US disclosed
US-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 US disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-04-23 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2007-01-18 US disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-11 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 (13 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-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C DPP4 2363/4885MAPT 1501/4885PIK3CD 12/4885
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I DPP4 4493/4885MAPT 1884/4885PIK3CD 2783/4885
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 DPP4 2074/4885MAPT 1536/4885PIK3CD 4815/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 DPP4 288/4885MAPT 3296/4885PIK3CD 1966/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 DPP4 2235/4885MAPT 1856/4885PIK3CD 484/4885
US-10179793-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 DPP4 1148/4885MAPT 2490/4885PIK3CD 1107/4885
US-20090105271-A1 PYRIDYL SULFONAMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 DPP4 1997/4885MAPT 2371/4885PIK3CD 442/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 DPP4 1465/4885MAPT 2194/4885PIK3CD 633/4885
US-11787812-B2 Substituted pyrazolo[4,3-d]pyrimidines and imidazo[5,1 -f][1,2,4]triazines as androgen receptor and phosphodiesterase dual inhibitors PDE5A, AR, PDE3A DPP4 460/4885MAPT 4610/4885PIK3CD 282/4885
US-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 DPP4 3388/4885MAPT 3370/4885PIK3CD 687/4885
US-20170253601-A1 Substituted Pyrrolidine Compounds SMYD2, SMYD3, SNRPD2 DPP4 4456/4885MAPT 3571/4885PIK3CD 4734/4885
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 DPP4 1528/4885MAPT 1267/4885PIK3CD 4785/4885
US-20190330224-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 DPP4 1148/4885MAPT 2490/4885PIK3CD 1107/4885

“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.