SCHEMBL21049554

SCHEMBL21049554

CN(C)CCn1cc[n+](C)c1C(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.34
HTR2A P28223 3/20 0.34
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.30
APOBEC3A P31941 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL21049622 0.82 FDPS (0.32) KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL1331217 0.78 SMN1; SMN2 (0.39) KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL21049579 0.78 KDM4E (0.33) CNR2KDM4EAPOBEC3ASMN1; SMN2APOBEC3G
SCHEMBL21049572 0.78 MEN1 (0.38) SMN1; SMN2
SCHEMBL22189073 0.77 MEN1 (0.41) SMN1; SMN2
SCHEMBL21049626 0.77 MEN1 (0.41) SMN1; SMN2
SCHEMBL21049594 0.77 MEN1 (0.41) SMN1; SMN2
SCHEMBL21049536 0.77 MEN1 (0.41) SMN1; SMN2
SCHEMBL21049629 0.77 MEN1 (0.41) SMN1; SMN2
SCHEMBL21049641 0.77 MEN1 (0.41) SMN1; SMN2

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 8 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-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP 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-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 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
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP 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 (3 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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR HTR2C 3224/4885HTR2A 3186/4885CNR2 124/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 HTR2C 3757/4885HTR2A 3314/4885CNR2 1520/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 HTR2C 3757/4885HTR2A 3314/4885CNR2 1520/4885

“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.