SCHEMBL6760745

SCHEMBL6760745

CCCC(CCC)[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SLC1A2 P43004 5/20 0.48
SLC1A1 P43005 5/20 0.48
SLC1A3 P43003 4/20 0.48
GRIK1 P39086 3/20 0.48
GRIK2 Q13002 3/20 0.48
METAP1 P53582 1/20 0.46
SLC7A5 Q01650 1/20 0.46
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL21981372 0.91 SLC1A2 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7055852 0.91 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL7059468 0.89 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7053586 0.89 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5321611 0.88 KMT2A (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14895463 0.87 TDP1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5320858 0.86 KMT2A (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5324656 0.85 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5324661 0.85 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28493466 0.84 SLC7A5 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461332-A2 PRODUCTION OF CHIRALLY PURE ALPHA-AMINO ACIDS AND N-SULFONYL ALPHA-AMINO ACIDS Wyeth (US) 2004-09-29 EP claimed
US-6657070-B2 Such as N-((5-chloro-2-thienyl)sulfonyl)-3-ethylnorvaline and 5-chloro-N-((S)-2-ethyl-1-formylbutyl)thiophene-2-sulfonamide via reacting aldehyde, cyanide salt, and alpha-methylbenzylamine WYETH 2003-12-02 US claimed
WO-2003050062-A2 PRODUCTION OF CHIRALLY PURE α-AMINO ACIDS ADN N-SULFONYL α-AMINO ACIDS WYETH (US) 2003-06-19 WO claimed
US-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids WYETH 2003-01-16 US claimed
EP-3763726-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2021-01-13 EP disclosed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP disclosed
EP-1461332-A2 PRODUCTION OF CHIRALLY PURE ALPHA-AMINO ACIDS AND N-SULFONYL ALPHA-AMINO ACIDS Wyeth (US) 2004-09-29 EP disclosed
US-6657070-B2 Such as N-((5-chloro-2-thienyl)sulfonyl)-3-ethylnorvaline and 5-chloro-N-((S)-2-ethyl-1-formylbutyl)thiophene-2-sulfonamide via reacting aldehyde, cyanide salt, and alpha-methylbenzylamine WYETH 2003-12-02 US disclosed
WO-2003050062-A2 PRODUCTION OF CHIRALLY PURE α-AMINO ACIDS ADN N-SULFONYL α-AMINO ACIDS WYETH (US) 2003-06-19 WO disclosed
US-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids WYETH 2003-01-16 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 (1 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-20030013892-A1 Production of chirally pure alpha-amino acids and N-sulfonyl alpha-amino acids DNPEP, EDNRB, PNMT CHRM1 237/4885AKR1A1 820/4885CHRM3 255/4885

“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.