SCHEMBL21679528

SCHEMBL21679528

CCOC(=O)Cc1nc(C2CCC(C(=O)CC(=O)OC)CC2)oc1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR2 O43614 1/20 0.33
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
NTRK1 P04629 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PPARD Q03181 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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 0.93 HCRTR2 (0.37) HCRTR2PPARGPPARANTRK1PPARD
SCHEMBL21679257 0.87 SMN1; SMN2 (0.36) MEN1KMT2APPARGPPARASMN1; SMN2
SCHEMBL21678960 0.83 HCRTR2 (0.39) HCRTR2PPARGPPARANTRK1PPARD
SCHEMBL21679392 0.81 MEN1 (0.36) MEN1KMT2AHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL21679323 0.78 CCNE1 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL21679115 0.78 PPARG (0.40) PPARGPPARASMN1; SMN2PPARDALDH1A1
SCHEMBL21679359 0.76 HCRTR2 (0.41) HCRTR2PPARGPPARASMN1; SMN2PPARD
SCHEMBL21679366 0.75 CCNE1 (0.38) MEN1KMT2ANTRK1SMN1; SMN2ALDH1A1
SCHEMBL15637053 0.72 KDM4E (0.49) HCRTR2PPARGPPARANTRK1SMN1; SMN2
SCHEMBL21679079 0.71 SMYD3 (0.40) MEN1KMT2AHSD17B10

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 6 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
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-20160367548-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS INC (US) 2016-12-22 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-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP MEN1 3958/4885KMT2A 3463/4885HCRTR2 3804/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 MEN1 3612/4885KMT2A 2626/4885HCRTR2 4107/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP MEN1 3958/4885KMT2A 3463/4885HCRTR2 3804/4885
US-20160367548-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 MEN1 3295/4885KMT2A 468/4885HCRTR2 82/4885

“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.