SCHEMBL21049598

SCHEMBL21049598

CCCCC[N+]1=CN(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CHRM2 P08172 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL21049587 0.98 HTT (0.37) HTTCA1CA2CHRM2ADRA2A
SCHEMBL21049571 0.98 HTT (0.37) HTTCA1CA2CHRM2ADRA2A
Hydrochloric Acid SCHEMBL23698477 0.96 KMT2A (0.37) HTTCA1CA2CHRM2ADRA2A
Iodide SCHEMBL16582908 0.96 EEF2K (0.36) HTTCA1CA2CHRM2ADRA2A
SCHEMBL6518280 0.94 — —
Formic Acid SCHEMBL23698414 0.88 HTT (0.32) HTTCA1CA2CHRM2ADRA2A
Bicarbonate SCHEMBL23698507 0.87 KCNH2 (0.33) CA1CA2CHRM2ADRA2AADORA3
Acetic Acid SCHEMBL23698382 0.87 CA2 (0.33) HTTCA1CA2KMT2ASMN1; SMN2
Iodide SCHEMBL1251472 0.83 — —
L-Lactic Acid SCHEMBL23698385 0.82 CA1 (0.35) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 — — CN disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 — — EP disclosed
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 — — US disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 — — US disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 — — 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 (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-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 HTT 1398/4885CA1 1981/4885CA2 3025/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 HTT 1398/4885CA1 1981/4885CA2 3025/4885

“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.

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