SCHEMBL21049587

SCHEMBL21049587

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.37
▸ CHRM2 P08172 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ ACHE P22303 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL21049571 1.00 HTT (0.37) HTTCHRM2ADRA2AADORA3CHRM1
Iodide SCHEMBL16582908 0.98 EEF2K (0.36) HTTCHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL23698477 0.98 KMT2A (0.37) HTTCHRM2ADRA2AADORA3CHRM1
SCHEMBL21049598 0.98 HTT (0.34) HTTCHRM2ADRA2AADORA3CHRM1
Formic Acid SCHEMBL23698414 0.90 HTT (0.32) HTTCHRM2ADRA2AADORA3CHRM1
Acetic Acid SCHEMBL23698382 0.89 CA2 (0.33) HTTCA1CA2KMT2ASMN1; SMN2
Bicarbonate SCHEMBL23698507 0.89 KCNH2 (0.33) CHRM2ADRA2AADORA3CHRM1ACHE
L-Lactic Acid SCHEMBL23698385 0.84 CA1 (0.35) CA1CA2
Iodide SCHEMBL1251472 0.82 — —
SCHEMBL22189075 0.81 EEF2K (0.35) HTTCHRM2ADRA2AADORA3CHRM1

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 18 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-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 — — US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 — — US disclosed
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
CN-111094375-B Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学株式会社 2022-04-01 — — CN disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 — — US 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
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
EP-3689931-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT Koei Chemical Company, Limited (JP) 2020-08-05 — — EP disclosed
US-20200216600-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-07-09 — — US 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
CN-111094375-A Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学工业株式会社 2020-05-01 — — 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
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 (6 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 HTT 1900/4885CHRM2 3804/4885ADRA2A 4751/4885
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 HTT 3109/4885CHRM2 841/4885ADRA2A 298/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 HTT 1398/4885CHRM2 1760/4885ADRA2A 2091/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 HTT 1398/4885CHRM2 1760/4885ADRA2A 2091/4885
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent IDH3A, RCOR1, MUS81 HTT 3109/4885CHRM2 841/4885ADRA2A 298/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM HTT 1900/4885CHRM2 3804/4885ADRA2A 4751/4885

“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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