SCHEMBL4156799

SCHEMBL4156799

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.33
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
DPP4 P27487 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19385514 0.72 DPP4 (0.36) DPP4
SCHEMBL27028742 0.69 GRIK1 (0.32) CPA1GRIK1GRIK2CYP2C19
SCHEMBL6673351 0.69 GRIK1 (0.32) CPA1GRIK1GRIK2CYP2C19
SCHEMBL30686116 0.69 GRIK1 (0.32) CPA1GRIK1GRIK2CYP2C19
SCHEMBL2564413 0.68
SCHEMBL2563517 0.68
SCHEMBL19385464 0.68 DPP4 (0.30) DPP4
Bicarbonate SCHEMBL11765656 0.67 GRIK1 (0.36) CPA1GRIK1GRIK2CYP2C19
SCHEMBL587037 0.66
SCHEMBL5763404 0.65

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-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 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-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR CPA1 3196/4885GRIK1 2404/4885GRIK2 2619/4885

“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.