SCHEMBL21678960

SCHEMBL21678960

COC(=O)Cc1nc(C2CCC(C(=O)O)CC2)oc1C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.39
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
ALDH1A1 P00352 2/20 0.35
PPARD Q03181 1/20 0.35
NTRK1 P04629 3/20 0.34
GAA P10253 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
VCP P55072 3/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM1A O60341 2/20 0.32

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
SCHEMBL21679279 0.90 HCRTR2 (0.37) HCRTR2PPARGPPARAPPARDNTRK1
SCHEMBL21679257 0.89 SMN1; SMN2 (0.36) PPARGPPARAALDH1A1PPARDDGAT2
SCHEMBL21679528 0.83 MEN1 (0.36) HCRTR2PPARGPPARAALDH1A1PPARD
SCHEMBL21679359 0.81 HCRTR2 (0.41) HCRTR2PPARGPPARAALDH1A1PPARD
SCHEMBL15637053 0.79 KDM4E (0.49) HCRTR2PPARGPPARAALDH1A1PPARD
SCHEMBL21679001 0.77 HCRTR2 (0.37) HCRTR2ALDH1A1GAAVCPKDM4E
SCHEMBL441093 0.76 PKM (0.40) ALDH1A1
SCHEMBL408783 0.76 PKM (0.40) ALDH1A1
SCHEMBL2590520 0.76 ALDH1A1 (0.39) ALDH1A1VCPADORA1KDM4EKDM1A
SCHEMBL2590523 0.76 ALDH1A1 (0.39) ALDH1A1VCPADORA1KDM4EKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 EP disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 US disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP HCRTR2 3804/4885PPARG 477/4885PPARA 209/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 HCRTR2 4107/4885PPARG 842/4885PPARA 478/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP HCRTR2 3804/4885PPARG 477/4885PPARA 209/4885

“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.