SCHEMBL21801003

SCHEMBL21801003

CCC[C@H](CC(=O)O)CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
GPR84 Q9NQS5 4/20 0.37
ADRA1A P35348 2/20 0.37
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34

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
SCHEMBL26655946 1.00 TSHR (0.38) TSHRGPR84ADRA1ACHRM1AKR1A1
SCHEMBL21801004 1.00 TSHR (0.38) TSHRGPR84ADRA1ACHRM1AKR1A1
SCHEMBL13506382 0.92 TSHR (0.42) TSHRADRA1ACHRM1AKR1A1CHRM3
SCHEMBL11356150 0.87 TSHR (0.42) TSHRADRA1ACHRM1AKR1A1CHRM3
SCHEMBL9843849 0.86 ALDH1A1 (0.39) TSHRGPR84ADRA1ACHRM1AKR1A1
SCHEMBL4290966 0.85 TSHR (0.44) TSHRADRA1ATDP1CACNA2D1CACNB3
SCHEMBL27729213 0.85 TSHR (0.44) TSHRADRA1ATDP1CACNA2D1CACNB3
SCHEMBL1335604 0.85 ADRA1A (0.48) TSHRGPR84ADRA1ACHRM1AKR1A1
SCHEMBL26802498 0.83 CA2 (0.39) TSHRADRA1ACHRM1AKR1A1CHRM3
SCHEMBL26802492 0.82 ALDH1A1 (0.36) TSHRADRA1ACHRM1AKR1A1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739683-B Preparation method of brivaracetam and intermediate thereof 上海宣泰医药科技股份有限公司 2024-04-16 CN disclosed
US-20230373914-A1 PROCESS FOR THE PREPARATION OF (R)-4-PROPYL PYRROLIDINE-2-ONE, A KEY INTERMEDIATE FOR SYNTHESIS OF BRIVARACETAM DIVI'S LABORATORIES LTD. (IN) 2023-11-23 US disclosed
US-20230373914-A1 PROCESS FOR THE PREPARATION OF (R)-4-PROPYL PYRROLIDINE-2-ONE, A KEY INTERMEDIATE FOR SYNTHESIS OF BRIVARACETAM DIVI'S LABORATORIES LTD. (IN) 2023-11-23 US disclosed
CN-112739683-A Preparation method and intermediate of brivaracetam 上海宣泰医药科技股份有限公司 2021-04-30 CN disclosed
WO-2020051796-A1 PREPARATION METHOD FOR BRIVARACETAM AND INTERMEDIATE THEREOF 上海宣泰医药科技有限公司 2020-03-19 WO disclosed
WO-2020052545-A1 METHOD FOR PREPARING BRIVARACETAM AND INTERMEDIATES THEREOF 上海宣泰医药科技有限公司 2020-03-19 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 (1 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-20230373914-A1 PROCESS FOR THE PREPARATION OF (R)-4-PROPYL PYRROLIDINE-2-ONE, A KEY INTERMEDIATE FOR SYNTHESIS OF BRIVARACETAM BPGM, MGAM, HPD TSHR 736/4885GPR84 898/4885ADRA1A 1235/4885

“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.