SCHEMBL951952

SCHEMBL951952

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
USP30 Q70CQ3 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL2202621 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL951953 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL951954 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL2202617 1.00 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL917596 0.90 NR1H2 (0.56) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL71583 0.90 NR1H2 (0.56) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL72800 0.90 NR1H2 (0.56) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL666524 0.90 NR1H2 (0.56) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL25870404 0.89 NR1H2 (0.49) NR1H2USP2SMN1; SMN2CHRM2CHRM1
SCHEMBL23288691 0.89 NR1H2 (0.51) NR1H2USP2SMN1; SMN2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 US disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 US disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-12-27 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 US disclosed
US-20100203162-A1 Method of preparing (+)-1,4-dihydro-7-[(3S,4S)-3-methoxy-4-(methylamino)-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid SUNESIS PHARMACEUTICALS, INC. 2010-08-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
EP-1805165-B1 1-(HETERO)ARYL-3-AMINO-PYRROLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-16 EP disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 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 (12 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-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS NR1H2 2487/4885USP2 972/4885SMN1; SMN2 2291/4885
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 NR1H2 3429/4885USP2 3715/4885SMN1; SMN2 3122/4885
US-20100203162-A1 Method of preparing (+)-1,4-dihydro-7-[(3S,4S)-3-methoxy-4-(methylamino)-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid CYP7A1, MT-ND1, DNM1 NR1H2 1541/4885USP2 4595/4885SMN1; SMN2 399/4885
US-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 NR1H2 141/4885USP2 4746/4885SMN1; SMN2 51/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP NR1H2 3395/4885USP2 4760/4885SMN1; SMN2 3058/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS NR1H2 2487/4885USP2 972/4885SMN1; SMN2 2291/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 NR1H2 3502/4885USP2 3732/4885SMN1; SMN2 3923/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 NR1H2 170/4885USP2 4681/4885SMN1; SMN2 4846/4885
US-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 NR1H2 228/4885USP2 3508/4885SMN1; SMN2 4368/4885
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists GRM3, GRM1, GRIA3 NR1H2 590/4885USP2 4382/4885SMN1; SMN2 3608/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 NR1H2 141/4885USP2 4746/4885SMN1; SMN2 51/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 NR1H2 3502/4885USP2 3732/4885SMN1; SMN2 3923/4885

“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.