SCHEMBL7002066

SCHEMBL7002066

C=CCC(CCC#N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.55
GRIK1 P39086 8/20 0.52
GRIK2 Q13002 8/20 0.52
CPA1 P15085 1/20 0.46
ALDH1A1 P00352 1/20 0.37
TBXAS1 P24557 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL5677958 0.91 GRIK1 (0.46) SLC1A2GRIK1GRIK2CPA1ALDH1A1
SCHEMBL12212883 0.81 SLC1A2 (0.69) SLC1A2GRIK1GRIK2ALDH1A1MEN1
SCHEMBL9755836 0.80 GRIK1 (0.43) SLC1A2GRIK1GRIK2CPA1TBXAS1
SCHEMBL891727 0.76 GRIK1 (0.64) GRIK1GRIK2CPA1TBXAS1CYP2C19
SCHEMBL8031351 0.75 GRIK1 (0.53) GRIK1GRIK2CPA1TBXAS1MEN1
SCHEMBL2137236 0.75 GRIK1 (0.53) GRIK1GRIK2CPA1ALDH1A1TBXAS1
SCHEMBL27930116 0.75 SLC1A2 (0.62) SLC1A2GRIK1GRIK2MEN1KMT2A
SCHEMBL2147491 0.75 SLC1A2 (0.62) SLC1A2GRIK1GRIK2MEN1KMT2A
SCHEMBL9755833 0.74 GRIK1 (0.44) SLC1A2GRIK1GRIK2CPA1CYP2C19
SCHEMBL6050002 0.74 GRIK1 (0.75) SLC1A2GRIK1GRIK2CPA1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171876-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) BRISTOL-MYERS SQUIBB COMPANY 2004-09-02 US claimed

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-20040171876-A1 Processes for the production of alpha-difluoromethyl ornithine (DFMO) ODC1, OTC, OAT SLC1A2 2265/4885GRIK1 3335/4885GRIK2 4204/4885

“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.