SCHEMBL3516304

SCHEMBL3516304

NCC([C]=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.52
HTR2A P28223 3/20 0.52
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
GABBR2 O75899 2/20 0.44
GABBR1 Q9UBS5 2/20 0.44
HRH1 P35367 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL19812637 0.83 HRH1 (0.56) TAAR1HTR2ACHRNB2CHRNA4GABBR2
SCHEMBL8712988 0.77 LMNA (0.46) TAAR1HTR2AHRH1
SCHEMBL11630123 0.77 LMNA (0.38) TAAR1HTR2AHRH1DPP4F2
SCHEMBL9220590 0.77 HTR2A (0.36) TAAR1HTR2AHRH1DPP4F2
SCHEMBL15259640 0.77 TSHR (0.39) TAAR1HTR2AHRH1DPP4F2
SCHEMBL4400769 0.77 TRPA1 (0.41) TAAR1HTR2A
SCHEMBL143452 0.77 LMNA (0.46) TAAR1HTR2AHRH1
SCHEMBL6725218 0.77 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4GABBR2
SCHEMBL1856265 0.77 TAAR1 (0.52) TAAR1HTR2ACHRNB2CHRNA4GABBR2
SCHEMBL832849 0.76 EPHX1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1087642-A Be used to discharge the method for cytotoxic agents and its component HYBRITECH INC (US) 1994-06-08 CN claimed
EP-0382411-A2 Delivery of cytotoxic agents ELI LILLY AND COMPANY (US) 1990-08-16 EP claimed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US claimed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US claimed
US-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2023-10-12 US disclosed
EP-4029512-A1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BioMarin Pharmaceutical Inc. (US) 2022-07-20 EP disclosed
EP-3175863-B1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BIOMARIN PHARM INC (US) 2021-12-01 EP disclosed
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2021-07-22 US disclosed
US-RE48267-E1 Variants of C-type natriuretic peptide BIOMARIN PHARMACEUTICAL INC. (US) 2020-10-20 US disclosed
EP-3175863-A1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BioMarin Pharmaceutical Inc. (US) 2017-06-07 EP disclosed
US-20170051033-A1 Variants of C-Type Natriuretic Peptide BIOMARIN PHARM INC (US) 2017-02-23 US disclosed
EP-2432489-B1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BIOMARIN PHARM INC (US) 2016-10-05 EP disclosed
US-4066831-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4066832-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4065622-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4013648-A BETA-LACTAM ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1977-03-22 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US 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-20230322858-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 TAAR1 1824/4885HTR2A 4343/4885CHRNB2 4882/4885
US-20210221848-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, MRPS35 TAAR1 1920/4885HTR2A 4391/4885CHRNB2 4882/4885

“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.