SCHEMBL20179770

SCHEMBL20179770

O=C(O)COC1CN(Cc2ccccc2)CC1(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
S1PR5 Q9H228 2/20 0.43
S1PR1 P21453 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP2D6 P10635 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
FUCA1 P04066 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL20179769 0.85 ALDH1A1 (0.45) L3MBTL1CYP2D6ALDH1A1
SCHEMBL29287890 0.77 S1PR5 (0.50) S1PR5S1PR1CHRM2CHRM3CYP2D6
SCHEMBL17499930 0.77 S1PR5 (0.50) S1PR5S1PR1CHRM2CHRM3CYP2D6
SCHEMBL8948755 0.77 S1PR5 (0.53) L3MBTL1S1PR5S1PR1BCHEFUCA1
SCHEMBL25746377 0.76 HTR2A (0.43) CYP2D6BCHEACHEDRD4
SCHEMBL22010185 0.75 TSHR (0.48) S1PR5S1PR1CYP2D6FUCA1ALDH1A1
SCHEMBL16714529 0.75 FUCA1 (0.53) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL8948613 0.74 L3MBTL1 (0.60) L3MBTL1BCHEACHEPOLBDRD4
Hydrochloric Acid SCHEMBL7302953 0.73 L3MBTL1 (0.59) L3MBTL1BCHEACHEPOLBDRD4
SCHEMBL17109799 0.73 ACHE (0.44) CHRM2CHRM3BCHEACHEDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-11-09 US disclosed
US-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-11-09 US disclosed
EP-3508483-B1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-10-06 EP disclosed
CN-109790145-B Dihydropyrimidine compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-09-22 CN disclosed
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-08-13 US disclosed
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-08-13 US disclosed
US-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-30 US disclosed
US-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-30 US disclosed
US-20190225603-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2019-07-25 US disclosed
US-20190225603-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2019-07-25 US disclosed
EP-3508483-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2019-07-10 EP disclosed
WO-2018090862-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-05-24 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-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, DHPS, HPRT1 L3MBTL1 3294/4885S1PR5 1230/4885S1PR1 1250/4885
US-20190225603-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF DPYD, TYMP, DHPS L3MBTL1 4256/4885S1PR5 1593/4885S1PR1 1579/4885
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF DPYD, DHPS, HPRT1 L3MBTL1 3294/4885S1PR5 1230/4885S1PR1 1250/4885
US-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, TYMP, DHPS L3MBTL1 4256/4885S1PR5 1593/4885S1PR1 1579/4885

“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.