SCHEMBL11062023

SCHEMBL11062023

CC(C)(C)CN1CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
KDM4E B2RXH2 2/20 0.41
NAAA Q02083 3/20 0.36
PER2 O15055 2/20 0.34
CRY2 Q49AN0 1/20 0.34
GRM2 Q14416 1/20 0.34
NQO2 P16083 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PDK2 Q15119 1/20 0.30

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
SCHEMBL12228958 0.88 PIK3CD (0.59) PIK3CDKDM4ENAAAPER2CRY2
SCHEMBL21649532 0.86 PIK3CD (0.53) PIK3CDKDM4ENAAAPER2CRY2
SCHEMBL340254 0.83 PIK3CD (0.40) PIK3CDKDM4ENAAAPER2CRY2
SCHEMBL15097937 0.82 KDM4E (0.45) PIK3CDKDM4ENAAAPER2CRY2
SCHEMBL29817711 0.81 AR (0.42) PIK3CDKDM4ENAAAPER2CRY2
SCHEMBL19767304 0.80 KDM4E (0.44) PIK3CDKDM4ENAAAPER2CRY2
SCHEMBL261199 0.77
SCHEMBL4935524 0.75 KDM4E (0.40) PIK3CDKDM4ENAAANQO2
SCHEMBL13086572 0.75 PIK3CD (0.40) PIK3CDKDM4ENAAACNR1CNR2
SCHEMBL8593693 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-10947237-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2021-03-16 US disclosed
US-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same MELINTA THERAPEUTICS, INC. 2018-03-08 US disclosed
US-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same MELINTA THERAPEUTICS, INC. 2018-03-08 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8952009-B2 Chroman derivatives as TRPM8 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2011-04-28 US disclosed
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2011-04-28 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
US-4462865-A Delignification of lignocellulosic materials with 2-imidazolidinones and 2-oxazolidinones THE DOW CHEMICAL COMPANY (US) 1984-07-31 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 (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-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK PIK3CD 728/4885KDM4E 1640/4885NAAA 3514/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 PIK3CD 2331/4885KDM4E 1441/4885NAAA 2768/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 PIK3CD 1778/4885KDM4E 2769/4885NAAA 1823/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 PIK3CD 1785/4885KDM4E 3317/4885NAAA 962/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 PIK3CD 353/4885KDM4E 1254/4885NAAA 4713/4885
US-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT PIK3CD 3383/4885KDM4E 4341/4885NAAA 305/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 PIK3CD 2847/4885KDM4E 3641/4885NAAA 624/4885
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity ABL1, ERBB2, TYRO3 PIK3CD 353/4885KDM4E 1254/4885NAAA 4713/4885
US-10947237-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT PIK3CD 3383/4885KDM4E 4341/4885NAAA 305/4885

“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.