SCHEMBL21679495

SCHEMBL21679495

CCOC(=O)C1CCN(c2cnc(N3CCC(C(=O)O)CC3)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
KDM4E B2RXH2 2/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 5/20 0.52
LGMN Q99538 2/20 0.51
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 5/20 0.49
POLB P06746 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.48
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL21679075 0.87 LGMN (0.51) PTPN11KDM4EMAPTLGMNALDH1A1
SCHEMBL14470851 0.85 MAPT (0.57) KDM4EMAPTLGMNALDH1A1KMT2A
SCHEMBL21679162 0.85 PTPN11 (0.49) PTPN11KDM4EMAPTLGMNALDH1A1
SCHEMBL26090993 0.85 MAPT (0.54) PTPN11KDM4EMAPTLGMNALDH1A1
SCHEMBL10078816 0.84 KDM4E (0.60) PTPN11KDM4ECYP2C19MAPTLGMN
SCHEMBL20564967 0.83 PTPN11 (0.53) PTPN11KDM4EMAPTLGMNALDH1A1
SCHEMBL3786436 0.83 KMT2A (0.55) PTPN11KDM4EMAPTLGMNALDH1A1
SCHEMBL1708419 0.83 PTPN11 (0.53) PTPN11KDM4EMAPTLGMNALDH1A1
SCHEMBL13918371 0.83 MAPT (0.55) KDM4EMAPTLGMNALDH1A1KMT2A
SCHEMBL595764 0.83 PTPN11 (0.59) PTPN11KDM4EMAPTLGMNALDH1A1

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 PTPN11 2368/4885KDM4E 3791/4885CYP2C19 999/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 PTPN11 2132/4885KDM4E 2429/4885CYP2C19 642/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP PTPN11 2368/4885KDM4E 3791/4885CYP2C19 999/4885

“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.