SCHEMBL3789795

SCHEMBL3789795

COC(=O)[C@H]1CC(O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MMP2 P08253 3/20 0.46
ANPEP P15144 3/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
HTRA1 Q92743 1/20 0.38
P2RX3 P56373 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28027805 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL1257236 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL475537 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL85067 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL1412106 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL5408514 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL84794 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL85695 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL611185 1.00 CYP3A4 (0.53) CYP3A4CYP1A2POLBCYP2C19ALDH1A1
SCHEMBL3188827 0.90 CYP1A2 (0.52) CYP3A4CYP1A2POLBCYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199894-A Inner-winding chiral polymer and preparation method and application thereof 中山大学 2023-06-02 CN claimed
US-20240254136-A1 COMPOUNDS TARGETING RNA-BINDING PROTEINS OR RNA-MODIFYING PROTEINS Redona Therapeutics, Inc. 2024-08-01 US disclosed
CN-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-116199894-A Inner-winding chiral polymer and preparation method and application thereof 中山大学 2023-06-02 CN disclosed
EP-4114831-A1 COMPOUNDS TARGETING RNA-BINDING PROTEINS OR RNA-MODIFYING PROTEINS Twentyeight-Seven, Inc. (US) 2023-01-11 EP disclosed
CN-112341442-B Immunomodulator 成都先导药物开发股份有限公司 2021-10-22 CN disclosed
CN-112341442-A Immunomodulator 成都先导药物开发股份有限公司 2021-02-09 CN disclosed
US-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives IM&T RESEARCH, INC. (US) 2010-07-08 US disclosed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
EP-0789707-A4 AMINO ACID NUCLEIC ACIDS ICN PHARMACEUTICALS (US) 1999-02-24 EP disclosed
EP-0789707-A1 AMINO ACID NUCLEIC ACIDS ICN PHARMACEUTICALS (US) 1997-08-20 EP disclosed
WO-1996014330-A1 AMINO ACID NUCLEIC ACIDS ICNPHARMACEUTICALS (US) 1996-05-17 WO disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 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 (2 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-20100174096-A1 Methods for Production of Optically Active Fluoropyrrolidine Derivatives QDPR, FDPS, DPYD CYP3A4 114/4885CYP1A2 584/4885POLB 1745/4885
US-20240254136-A1 COMPOUNDS TARGETING RNA-BINDING PROTEINS OR RNA-MODIFYING PROTEINS NSUN3, NSUN2, RBM3 CYP3A4 4741/4885CYP1A2 4722/4885POLB 613/4885

“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.