SCHEMBL4410902

SCHEMBL4410902

O=C(O)C(CCBr)CCCBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FOLH1 Q04609 9/20 0.43
CA2 P00918 1/20 0.43
MAPK1 P28482 1/20 0.43
CPB2 Q96IY4 3/20 0.40
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC1A2 P43004 2/20 0.36

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
SCHEMBL28475499 0.89 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11633541 0.85 CA2 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10412071 0.84 CHRM1 (0.70) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL321082 0.84 CA2 (0.65) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1554383 0.81 CA2 (0.68) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2839819 0.81 FOLH1 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7776230 0.81 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6120281 0.81 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22534499 0.81 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10562619 0.81 GRIK1 (0.58) CHRM1AKR1A1CHRM3HTR2AHTR2C

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
CN-110041309-B 2-carboxypiperazine-linked tacrine-8-amino (hydroxy) quinoline derivative and preparation and application thereof 广东工业大学 2022-01-28 CN claimed
CN-117741025-A Method for detecting impurities in ethyl 2,3-dibromopropionate 石家庄四药有限公司 2024-03-22 CN disclosed
US-11623943-B2 Method for producing lacosamide and intermediate thereof API CORPORATION (JP) 2023-04-11 US disclosed
CN-110041309-B 2-carboxypiperazine-linked tacrine-8-amino (hydroxy) quinoline derivative and preparation and application thereof 广东工业大学 2022-01-28 CN disclosed
US-20210188904-A1 METHOD FOR PRODUCING LACOSAMIDE AND INTERMEDIATE THEREOF API CORPORATION (JP) 2021-06-24 US disclosed
US-10975117-B2 Method for producing lacosamide and intermediate thereof API CORPORATION (JP) 2021-04-13 US disclosed
EP-3659997-A1 METHOD FOR PRODUCING LACOSAMIDE AND INTERMEDIATE THEREOF API Corporation (JP) 2020-06-03 EP disclosed
US-20180371013-A1 METHOD FOR PRODUCING LACOSAMIDE AND INTERMEDIATE THEREOF API CORPORATION (JP) 2018-12-27 US disclosed
EP-3375771-A1 METHOD FOR PRODUCING LACOSAMIDE AND INTERMEDIATE THEREOF API Corporation (JP) 2018-09-19 EP disclosed
EP-1796657-B1 N-2 ADAMANTANYL-2-PHENOXY-ACETAMIDE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-12-23 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-11623943-B2 Method for producing lacosamide and intermediate thereof CA3, TREH, NAAA CHRM1 3966/4885AKR1A1 1159/4885CHRM3 3104/4885
US-20210188904-A1 METHOD FOR PRODUCING LACOSAMIDE AND INTERMEDIATE THEREOF CA3, TREH, NAAA CHRM1 3966/4885AKR1A1 1159/4885CHRM3 3104/4885
US-10975117-B2 Method for producing lacosamide and intermediate thereof CA3, TREH, NAAA CHRM1 3966/4885AKR1A1 1159/4885CHRM3 3104/4885
US-20180371013-A1 METHOD FOR PRODUCING LACOSAMIDE AND INTERMEDIATE THEREOF CA3, TREH, NAAA CHRM1 3966/4885AKR1A1 1159/4885CHRM3 3104/4885

“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.