SCHEMBL17891797

SCHEMBL17891797

C[C](c1ccc(CCC(C)(C)C)c(Cl)c1)[C@@H](CO)C(C)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CYP2D6 P10635 3/20 0.34
EPHX2 P34913 3/20 0.33
NR1H4 Q96RI1 3/20 0.33
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
OPRK1 P41145 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRND Q07001 1/20 0.30
S1PR1 P21453 2/20 0.30

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
SCHEMBL21796356 0.87 EPHX2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL21796357 0.87 EPHX2 (0.32) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL17891825 0.78 MAPT (0.38) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL17831661 0.76 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL30665778 0.76 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL26655796 0.71 EPHX2 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL17891912 0.70 EPHX2 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6EPHX2
SCHEMBL17831706 0.66 AKR1C3 (0.47)
SCHEMBL17891835 0.65 EPHX2 (0.33) SLC6A2SLC6A4SLC6A3EPHX2NR1H4
SCHEMBL17891836 0.65 EPHX2 (0.33) SLC6A2SLC6A4SLC6A3EPHX2NR1H4

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-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-05-06 US disclosed
EP-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 EP disclosed
EP-3231793-B1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC (JP) 2020-03-11 EP disclosed
US-10196363-B2 Dihydropyrimidin-2-one compounds and medical use thereof JAPAN TOBACCO INC. (JP) 2019-02-05 US disclosed
EP-3231793-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2017-10-18 EP disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 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-10196363-B2 Dihydropyrimidin-2-one compounds and medical use thereof REN, PKD2, ALPI EPHX1 3401/4885SLC6A2 134/4885SLC6A4 420/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI EPHX1 3401/4885SLC6A2 134/4885SLC6A4 420/4885
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI EPHX1 3401/4885SLC6A2 134/4885SLC6A4 420/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI EPHX1 3401/4885SLC6A2 134/4885SLC6A4 420/4885

“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.