SCHEMBL17831700

SCHEMBL17831700

CC(=O)c1ccc(C2CC(C(C)C)C2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRND Q07001 1/20 0.49
SCN9A Q15858 2/20 0.37
TYK2 P29597 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
CREBBP Q92793 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HSD17B1 P14061 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL17904524 1.00 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL11802460 0.78 CHRNA1 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL11675275 0.77 ALDH1A1 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL6139695 0.77 ALDH1A1 (0.46) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL17831699 0.75 MEN1 (0.35) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL17904523 0.75 MEN1 (0.35) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL6139740 0.73 CHRNA1 (0.42) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL11445603 0.72 OPRL1 (0.50) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL24055157 0.72 CHRNA1 (0.43) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1
SCHEMBL21407844 0.72 CHRNA1 (0.43) CHRNB2CHRNA4CHRNA1CHRNGCHRNB1

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
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 CHRNB2 4698/4885CHRNA4 4839/4885CHRNA1 4520/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI CHRNB2 4698/4885CHRNA4 4839/4885CHRNA1 4520/4885
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI CHRNB2 4698/4885CHRNA4 4839/4885CHRNA1 4520/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI CHRNB2 4698/4885CHRNA4 4839/4885CHRNA1 4520/4885

“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.