SCHEMBL1584572

SCHEMBL1584572

CC1CCN(C(=O)OC(C)(C)C)C1CO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
CTSK P43235 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL114868 1.00 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL114606 1.00 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL27156438 1.00 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL26059206 0.88 CHRM2 (0.42) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL1178180 0.85 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL8199039 0.85 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL653778 0.85 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL2567234 0.85 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL14428300 0.85 NR1H2 (0.43) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL22220554 0.83 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3HSD17B10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
CN-114096532-B Heterocyclic compounds which inhibit tyrosine kinase 2 activity 广州诺诚健华医药科技有限公司 2023-12-01 CN disclosed
CN-115124538-A Bicyclic compounds as ATX inhibitors 豪夫迈·罗氏有限公司 2022-09-30 CN disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
CN-107635995-B Bicyclic compounds as ATX inhibitors 豪夫迈·罗氏有限公司 2022-08-19 CN disclosed
CN-114096532-A Heterocyclic compounds inhibiting tyrosine kinase 2 activity 广州诺诚健华医药科技有限公司 2022-02-25 CN disclosed
CN-107614505-B Novel bicyclic compounds as dual ATX/CA inhibitors 豪夫迈·罗氏有限公司 2021-05-07 CN disclosed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 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 (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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK NR1H2 3017/4885CHRM2 4852/4885CHRM1 4811/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK NR1H2 3017/4885CHRM2 4852/4885CHRM1 4811/4885
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 NR1H2 160/4885CHRM2 559/4885CHRM1 429/4885

“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.