SCHEMBL5324656

SCHEMBL5324656

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIK1 P39086 5/20 0.41
SLC1A2 P43004 4/20 0.41
SLC1A1 P43005 4/20 0.41
GRIK2 Q13002 4/20 0.41
SLC1A3 P43003 3/20 0.41
METAP1 P53582 1/20 0.39
SLC7A5 Q01650 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5324661 1.00 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL14895463 0.86 TDP1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6760745 0.85 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5322663 0.83 SLC7A5 (0.41) GRIK1SLC1A2SLC1A1GRIK2SLC1A3
SCHEMBL5322667 0.83 SLC7A5 (0.41) GRIK1SLC1A2SLC1A1GRIK2SLC1A3
SCHEMBL5321611 0.82 KMT2A (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7055852 0.81 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5320858 0.81 KMT2A (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL21012364 0.80 ENPEP (0.39) GRIK1GRIK2SLC7A5ALOX15BLM
SCHEMBL4557736 0.80 CHRM1 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 CHRM1 3997/4885AKR1A1 4293/4885CHRM3 4241/4885

“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.