SCHEMBL21679115

SCHEMBL21679115

CCOC(=O)Cc1nc(C2CCC(C(=O)OCc3ccccc3)CC2)oc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARD Q03181 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL21679359 0.92 HCRTR2 (0.41) PPARGPPARASMN1; SMN2PKMPPARD
SCHEMBL21679257 0.83 SMN1; SMN2 (0.36) PPARGPPARASMN1; SMN2NPSR1PPARD
SCHEMBL21679037 0.82 MAPT (0.40) SMN1; SMN2PKMNPSR1NPC1RAB9A
SCHEMBL21679277 0.80 TSHR (0.39) SMN1; SMN2NPC1RAB9ATSHRALDH1A1
SCHEMBL21679528 0.78 MEN1 (0.36) PPARGPPARASMN1; SMN2PPARDALDH1A1
SCHEMBL18971854 0.73 MEN1 (0.51) SMN1; SMN2PKMNPSR1NPC1RAB9A
SCHEMBL3577301 0.73 MEN1 (0.51) SMN1; SMN2PKMNPSR1NPC1RAB9A
SCHEMBL3577297 0.73 MEN1 (0.51) SMN1; SMN2PKMNPSR1NPC1RAB9A
SCHEMBL21679488 0.73 ADORA3 (0.39) PKMNPSR1NPC1ADORA3MAPT
SCHEMBL21678960 0.72 HCRTR2 (0.39) PPARGPPARAPPARDALDH1A1

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 PPARG 477/4885PPARA 209/4885SMN1; SMN2 4699/4885
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 PPARG 842/4885PPARA 478/4885SMN1; SMN2 4518/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP PPARG 477/4885PPARA 209/4885SMN1; SMN2 4699/4885

“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.