SCHEMBL2069710

SCHEMBL2069710

CNC1CCCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
HPGD P15428 1/20 0.52
USP30 Q70CQ3 3/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PREP P48147 2/20 0.45
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
PARP1 P09874 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL6758420 1.00 EPHX1 (0.57) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL6758417 1.00 EPHX1 (0.57) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL2026360 0.95 EPHX1 (0.55) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL556321 0.95 EPHX1 (0.55) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL2024838 0.95 EPHX1 (0.55) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL2500606 0.89 EPHX1 (0.57) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL189361 0.89 EPHX1 (0.57) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL671402 0.89 EPHX1 (0.57) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL28779706 0.88 EPHX1 (0.57) EPHX1HPGDUSP30MEN1ALDH1A1
SCHEMBL28779709 0.88 EPHX1 (0.57) EPHX1HPGDUSP30MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114717211-B Imine reductase mutant M5 and application thereof in synthesis of nitrogen heterocycle chiral amine 江苏集萃分子工程研究院有限公司 2023-06-02 CN disclosed
CN-114717211-A Imine reductase mutant M5 and application thereof in synthesis of azacyclo chiral amine 江苏集萃分子工程研究院有限公司 2022-07-08 CN disclosed
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-10-26 US disclosed
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 EP disclosed
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-07-16 US disclosed
US-7902367-B2 Cyclic amino benzoic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 US disclosed
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP disclosed
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents LABORATORIOS VITA, S.A. (ES) 2004-07-29 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 (4 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-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF CYP2D6, DPYD, TPMT EPHX1 1606/4885HPGD 379/4885USP30 4831/4885
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof CYP2D6, DPYD, TPMT EPHX1 1606/4885HPGD 379/4885USP30 4831/4885
US-20040147545-A1 Derivatives of oxazolidinones as antibacterial agents OXA1L, Q6ZSR9, PGC EPHX1 2356/4885HPGD 659/4885USP30 4108/4885
US-20070249580-A1 Novel Cyclic Amino Benzoic Acid Derivative PPARA, PPARG, PPARD EPHX1 3920/4885HPGD 2412/4885USP30 4261/4885

“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.