SCHEMBL4624722

SCHEMBL4624722

CC(O)C(O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
RAD52 P43351 1/20 0.50
ATM Q13315 1/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
GFER P55789 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNA7 P36544 3/20 0.47
MCOLN2 Q8IZK6 1/20 0.44
DRD2 P14416 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4624728 1.00 ADRA2A (0.51) ADRA2AADRA2BADRA2CRAD52ATM
SCHEMBL8584033 1.00 ADRA2A (0.51) ADRA2AADRA2BADRA2CRAD52ATM
SCHEMBL4624730 1.00 ADRA2A (0.51) ADRA2AADRA2BADRA2CRAD52ATM
SCHEMBL8584036 1.00 ADRA2A (0.51) ADRA2AADRA2BADRA2CRAD52ATM
SCHEMBL23340098 0.85 ADRA2A (0.54) ADRA2AADRA2BADRA2CRAD52ATM
SCHEMBL460139 0.80 ADRA2A (0.58) ADRA2AADRA2BADRA2CATMMAPT
SCHEMBL1099464 0.80 KDM4E (0.66) ADRA2AADRA2BADRA2CATMMAPT
SCHEMBL4252814 0.77 KDM4E (0.50) ADRA2AADRA2BADRA2CRAD52ATM
SCHEMBL21361603 0.77 KDM4E (0.50) ADRA2AADRA2BADRA2CRAD52ATM
SCHEMBL10671655 0.77 KDM4E (0.50) ADRA2AADRA2BADRA2CRAD52ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113941003-B Multi-segment composition, pharmaceutical preparation, composition and preparation method thereof 江苏集萃新型药物制剂技术研究所有限公司 2023-04-28 CN claimed
CN-113941003-B Multi-segment composition, pharmaceutical preparation, composition and preparation method thereof 江苏集萃新型药物制剂技术研究所有限公司 2023-04-28 CN disclosed
EP-0935961-B1 (R)-2-(3-Benzoylphenyl)propionic acid salts and pharmaceutical preparations containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-04-02 EP disclosed
US-20030176446-A1 2,2-disubstituted 1,3-dioxolanes as antitussive agents DOMPÉ FARMACEUTICI S.P.A. (IT) 2003-09-18 US disclosed
US-6069172-A ADMINISTERING THE ENANTIOMER (R)-KETOPROFEN AND OF ITS SALTS WITH SUITABLE ORGANIC AND INORGANIC BASES IN THE THERAPY OF NEUTROPHIL-DEPENDENT DISEASES DOMPE' SPA (IT) 2000-05-30 US disclosed
EP-0935961-A2 (R)-2-(3-Benzoylphenyl)propionic acid salts and pharmaceutical preparations containing them Dompé S.P.A. (IT) 1999-08-18 EP disclosed
US-5808069-A Salts of 2-(3-benzoylphenyl) propionic acid with organic bases and pharmaceutical compositions thereof DOMPE' FARMACEUTICI SPA (IT) 1998-09-15 US disclosed
EP-0703893-A1 SALTS OF 2-(3-BENZOYLPHENYL) PROPIONIC ACID WITH ACHIRAL AND CHIRAL ORGANIC BASES AND PHARMACEUTICAL COMPOSITIONS THEREOF DOMPE FARMACEUTICI S.P.A. (IT) 1996-04-03 EP disclosed
WO-1994020449-A1 SALTS OF 2-(3-BENZOYLPHENYL)PROPIONIC ACID WITH ACHIRAL AND CHIRAL ORGANIC BASES AND PHARMACEUTICAL COMPOSITIONS THEREOF DOMPE'FARMACEUTICI SPA (IT) 1994-09-15 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 (1 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-20030176446-A1 2,2-disubstituted 1,3-dioxolanes as antitussive agents ADRB2, QDPR, ADRB3 ADRA2A 7/4885ADRA2B 11/4885ADRA2C 8/4885

“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.