SCHEMBL21562972

SCHEMBL21562972

COC(=O)CCn1nc(C)c2c1CCC1(C2)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 7/20 0.34
▸ GABRD O14764 7/20 0.34
▸ GABRA1 P14867 7/20 0.34
▸ GABRB1 P18505 7/20 0.34
▸ GABRG2 P18507 7/20 0.34
▸ GABRB3 P28472 7/20 0.34
▸ GABRA5 P31644 7/20 0.34
▸ GABRA3 P34903 7/20 0.34
▸ GABRA2 P47869 7/20 0.34
▸ GABRB2 P47870 7/20 0.34
▸ GABRA4 P48169 7/20 0.34
▸ GABRE P78334 7/20 0.34
▸ GABRA6 Q16445 7/20 0.34
▸ GABRG1 Q8N1C3 7/20 0.34
▸ GABRG3 Q99928 7/20 0.34
▸ GABRQ Q9UN88 7/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 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
SCHEMBL18325701 0.91 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21549872 0.82 MEN1 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21563100 0.77 HDAC9 (0.34) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL18209727 0.73 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21563050 0.71 HDAC9 (0.34) GAAALDH1A1
SCHEMBL23646937 0.68 MAPK1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14487500 0.68 TRPM2 (0.46) GAAALDH1A1NPSR1
SCHEMBL21995862 0.67 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21562959 0.66 RORC (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18854207 0.65 LMNA (0.39) MEN1GAAKMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-07-22 — — US disclosed
WO-2019214610-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2019-11-14 — — WO 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 (1 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-20210220356-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, TYMP, HAVCR2 GABRP 1441/4885GABRD 1059/4885GABRA1 2854/4885

“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.

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