SCHEMBL17831713

SCHEMBL17831713

CC(C)(C)CCc1ccc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ P4HB P07237 1/20 0.40
▸ EPHX2 P34913 7/20 0.40
▸ NR1H4 Q96RI1 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ SRD5A2 P31213 2/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37

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
SCHEMBL17891892 0.88 PDE3B (0.44) PDE3BPDE3AEPHX2MEN1KMT2A
SCHEMBL6293963 0.82 ALDH1A1 (0.46) ACE2P4HBEPHX2MEN1KMT2A
SCHEMBL7842202 0.82 S1PR1 (0.48) S1PR1
SCHEMBL27671697 0.81 PTPN1 (0.41) ACE2P4HBEPHX2SRD5A2SMN1; SMN2
SCHEMBL16121258 0.80 ACE2 (0.53) ACE2P4HBEPHX2SRD5A2SMN1; SMN2
SCHEMBL17831712 0.80 MLYCD (0.45) PDE3BPDE3AEPHX2MLYCD
SCHEMBL19480865 0.78 PDE3B (0.38) PDE3BPDE3AEPHX2MEN1KMT2A
SCHEMBL1697891 0.78 EPHX2 (0.44) ACE2P4HBEPHX2SRD5A2SMN1; SMN2
SCHEMBL9184815 0.78 EPHX2 (0.41) ACE2P4HBEPHX2SRD5A2SMN1; SMN2
SCHEMBL3944077 0.77 ALDH1A1 (0.50) ACE2EPHX2MEN1KMT2ASRD5A2

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 18 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-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 — — US disclosed
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
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-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 — — EP disclosed
CN-107001286-B Dihydropyrimidine-2-one compounds and medicinal use thereof 日本烟草产业株式会社 2020-07-07 — — CN 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
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
EP-3231793-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2017-10-18 — — EP disclosed
CN-107001286-A The assimilation compound of dihydro-pyrimidin 2 and its medical usage 日本烟草产业株式会社 2017-08-01 — — CN disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 — — US disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 — — US disclosed
WO-2016093342-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF 日本たばこ産業株式会社 2016-06-16 — — 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 (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 PDE3B 875/4885PDE3A 740/4885ACE2 25/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI PDE3B 875/4885PDE3A 740/4885ACE2 25/4885
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI PDE3B 875/4885PDE3A 740/4885ACE2 25/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI PDE3B 875/4885PDE3A 740/4885ACE2 25/4885

“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.

Send feedback