SCHEMBL17891892

SCHEMBL17891892

CC(=O)c1ccc(CCC(C)(C)C)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ KIF11 P52732 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ EPHX2 P34913 6/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SCN9A Q15858 1/20 0.35

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
SCHEMBL17831713 0.88 PDE3B (0.44) PDE3BPDE3AEPHX2AKR1C3AKR1C2
SCHEMBL16140748 0.82 PKM (0.56) KIF11MAOAMAOBEPHX2AKR1C3
SCHEMBL17831712 0.80 MLYCD (0.45) PDE3BPDE3AEPHX2MLYCD
SCHEMBL12123426 0.80 MAOA (0.48) KIF11MAOAMAOBEPHX2AKR1C3
SCHEMBL30665778 0.78 CYP2D6 (0.42) MAOAMAOBEPHX2PKMKMT2A
SCHEMBL17831661 0.78 CYP2D6 (0.42) MAOAMAOBEPHX2PKMKMT2A
SCHEMBL19480865 0.78 PDE3B (0.38) PDE3BPDE3AEPHX2MLYCDS1PR1
SCHEMBL28169942 0.75 PDE3B (0.42) PDE3BPDE3AAKR1C3AKR1C2S1PR1
SCHEMBL22836993 0.75 PKM (0.44) MAOAMAOBPKMKMT2AMEN1
SCHEMBL1925084 0.75 KIF11 (0.59) KIF11MAOAMAOBAKR1C3AKR1C2

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 15 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
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
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

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 740/4885KIF11 1215/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI PDE3B 875/4885PDE3A 740/4885KIF11 1215/4885
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI PDE3B 875/4885PDE3A 740/4885KIF11 1215/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI PDE3B 875/4885PDE3A 740/4885KIF11 1215/4885

“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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