SCHEMBL16657355

SCHEMBL16657355

CC(C)(C)OC(=O)N1CC(n2c(=O)[nH]c3cnccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.43
TNKS O95271 6/20 0.43
TNKS2 Q9H2K2 1/20 0.43
GPR119 Q8TDV5 4/20 0.41
CYP2C9 P11712 1/20 0.40
PIK3CA P42336 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SPR P35270 1/20 0.40
CALCRL Q16602 1/20 0.39
NAMPT P43490 2/20 0.39

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
SCHEMBL20450694 0.92 CCR5 (0.46) CCR5TNKSGPR119CYP2C9CALCRL
SCHEMBL20450695 0.92 CCR5 (0.46) CCR5TNKSGPR119CYP2C9CALCRL
SCHEMBL31437335 0.90 CYP2C9 (0.48) CCR5TNKSTNKS2GPR119CYP2C9
SCHEMBL20450661 0.90 CYP2C9 (0.48) CCR5TNKSTNKS2GPR119CYP2C9
SCHEMBL18764531 0.90 CYP2C9 (0.48) CCR5TNKSTNKS2GPR119CYP2C9
SCHEMBL2247700 0.89 CCR5 (0.51) CCR5TNKSTNKS2GPR119CALCRL
SCHEMBL16657347 0.84 CCR5 (0.56) CCR5
SCHEMBL16783378 0.80 CCR5 (0.49) CCR5KDM4ESPR
SCHEMBL16652901 0.80 HSD11B1 (0.50) CCR5
SCHEMBL15289136 0.79 TNKS (0.46) TNKSTNKS2PIK3CASPRCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328859-B1 3-((4-ISOQUINOLIN-3-YL)METHYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) BOEHRINGER INGELHEIM INT (DE) 2020-06-03 EP disclosed
EP-3328859-B1 3-((4-ISOQUINOLIN-3-YL)METHYL)-1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV) BOEHRINGER INGELHEIM INT (DE) 2020-06-03 EP disclosed
US-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2019-01-03 US disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
EP-2864323-B1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2017-04-19 EP disclosed
WO-2017018924-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2017-02-02 WO disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 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-20190002436-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS NR0B1, NR1I3, SCARB1 CCR5 277/4885TNKS 4856/4885TNKS2 4839/4885
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ CCR5 387/4885TNKS 1828/4885TNKS2 3371/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ CCR5 387/4885TNKS 1828/4885TNKS2 3371/4885

“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.