SCHEMBL1942989

SCHEMBL1942989

CC(C)(C)C1C(=O)NCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
DPP4 P27487 2/20 0.34
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.34
CCR2 P41597 1/20 0.33
RECQL P46063 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL27163592 0.77 TSHR (0.45) TSHRKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL27163695 0.77 TSHR (0.45) TSHRKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL15205884 0.77 TSHR (0.45) TSHRKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL27242799 0.75 TSHR (0.36) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL2487318 0.73 LMNA (0.34) LMNA
SCHEMBL10204111 0.73 KDM4E (0.35) TSHRKDM4EALDH1A1KMT2AMEN1
SCHEMBL15271360 0.72 TSHR (0.41) TSHRKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL29171350 0.72 DPP4 (0.53) TSHRKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL2299168 0.72 DPP4 (0.53) TSHRKDM4EALDH1A1KMT2AL3MBTL1
SCHEMBL22558450 0.70 TSHR (0.30) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120439-A FGFR3 inhibitor compounds 伊莱利利公司 2023-11-24 CN disclosed
CN-113227068-B GLP-1R agonists and uses thereof 上海齐鲁锐格医药研发有限公司 2023-06-13 CN disclosed
CN-115776887-A MDM2 degrading agents and uses thereof 凯麦拉医疗公司 2023-03-10 CN disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
US-8710224-B2 Heterocyclic compounds as CCR2B antagonists ASTRAZENECA AB (SE) 2014-04-29 US disclosed
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS ASTRAZENECA AB (SE) 2014-02-06 US disclosed
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2012-10-18 US disclosed
US-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2011-08-11 US disclosed
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906645-B2 Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2006072353-A1 AZETIDINE-SUBSTITUTED PYRAZOLINES AS PAR-1 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2006-07-13 WO disclosed
WO-2006072350-A1 CYANOGUANIDINE-SUBSTITUTED PYRAZOLINES BAYER HEALTHCARE AG (DE) 2006-07-13 WO disclosed
US-6413964-B1 14-AMINO-14-(1-METHYL-1H-IMIDAZOL-5-YL)-8-OXA-2-THIA-1,18 -DIAZATETRACYCLO(16.2.2.1(3,7).1(9,13))TETRACOSA-3(24),4,6, 9(23),10,12-HEXAENE-10-CARBONITRILE 2,2-DIOXIDE, FOR EXAMPLE; USE IN RADIOTHERAPY, CHEMOTHERAPY AS SENSITIZER MERCK & CO., INC. 2002-07-02 US disclosed
WO-2001051125-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-07-19 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 (9 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR TSHR 4664/4885KDM4E 253/4885ALDH1A1 3942/4885
US-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PSEN2, PSEN1, CHAT TSHR 4655/4885KDM4E 3427/4885ALDH1A1 1222/4885
US-20120264762-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 TSHR 997/4885KDM4E 4370/4885ALDH1A1 3238/4885
US-20110136820-A1 Heterocyclic Compounds as CCR2 Antagonists CCR2, CCR3, CXCR2 TSHR 997/4885KDM4E 4370/4885ALDH1A1 3238/4885
US-20140038978-A1 HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS CCR2, CCR3, CXCR2 TSHR 1018/4885KDM4E 4220/4885ALDH1A1 3388/4885
US-20090099156-A1 Heterocyclic Compounds as Ccr2b antagonists CCR2, CCR3, CXCR2 TSHR 973/4885KDM4E 4195/4885ALDH1A1 3415/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR TSHR 4664/4885KDM4E 253/4885ALDH1A1 3942/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR TSHR 4664/4885KDM4E 253/4885ALDH1A1 3942/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR TSHR 4664/4885KDM4E 253/4885ALDH1A1 3942/4885

“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.