SCHEMBL21111208

SCHEMBL21111208

O=C(O)COC1CCN(C(=O)OCc2ccccc2)CC1(F)F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2C19 P33261 1/20 0.53
GRIN2B Q13224 9/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
KDM1A O60341 1/20 0.44
RORC P51449 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28467540 0.89 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL21174908 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL17979232 0.85 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL17979421 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18068173 0.82 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL18018417 0.81 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2146173 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL77520 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL21012768 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20280993 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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 10 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
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

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 SMN1; SMN2 2913/4885NPC1 907/4885RAB9A 2044/4885
US-20190225603-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF DPYD, TYMP, DHPS SMN1; SMN2 3721/4885NPC1 957/4885RAB9A 2281/4885
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF DPYD, DHPS, HPRT1 SMN1; SMN2 2913/4885NPC1 907/4885RAB9A 2044/4885
US-10696669-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, TYMP, DHPS SMN1; SMN2 3721/4885NPC1 957/4885RAB9A 2281/4885

“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.