SCHEMBL21834818

SCHEMBL21834818

CCCCCCCCCCCC[n+]1ccn(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
CHRM1 P11229 2/20 0.46
ACHE P22303 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL23698466 1.00 CHRM2 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL28547529 1.00 CHRM2 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL21834835 1.00 CHRM2 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL28548847 1.00 CHRM2 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL28553222 1.00 CHRM2 (0.46) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL3762950 0.93
Formic Acid SCHEMBL28564601 0.91 ABCB11 (0.39) CHRM2ADRA2AADORA3CHRM1ACHE
SCHEMBL3767084 0.85
SCHEMBL19622420 0.84 BCHE (0.34) ACHE
SCHEMBL19622352 0.84 BCHE (0.34) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291506-B2 Method for producing amidate compound, and amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-05-06 US disclosed
CN-118290346-A Method for producing amide compound, and amide compound 广荣化学株式会社 2024-07-05 CN disclosed
CN-112703184-B Method for producing amide compound, and amide compound 广荣化学株式会社 2024-06-11 CN disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 US disclosed
EP-3858817-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2021-08-04 EP disclosed
CN-112703184-A Process for producing amide compound, and amide compound 广荣化学株式会社 2021-04-23 CN disclosed
WO-2020067431-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND 広栄化学工業株式会社 2020-04-02 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 (2 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-12291506-B2 Method for producing amidate compound, and amidate compound NAAA, NIT2, PAM CHRM2 3804/4885ADRA2A 4751/4885ADORA3 1518/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM CHRM2 3804/4885ADRA2A 4751/4885ADORA3 1518/4885

“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.