SCHEMBL21068655

SCHEMBL21068655

O=C(O)N1CC(CCCO)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.33
AKR1C3 P42330 2/20 0.33
CAMK2A Q9UQM7 1/20 0.32
GPR84 Q9NQS5 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL14738055 0.86 AKR1C3 (0.41) AKR1C3
SCHEMBL25282888 0.86 GPR84 (0.31) NAMPTGPR84FFAR1FFAR4
SCHEMBL22983193 0.84 ITGB3 (0.39) AKR1C3
SCHEMBL26619704 0.84 ITGB3 (0.39) AKR1C3
SCHEMBL16528800 0.81 AKR1C3 (0.40) AKR1C3
SCHEMBL1069006 0.81 AKR1C3 (0.40) AKR1C3
SCHEMBL19276687 0.81 CHRNB2 (0.42) AKR1C3
SCHEMBL1840437 0.79 ITGB3 (0.44) NAMPTAKR1C3
SCHEMBL17474241 0.79 SIGMAR1 (0.41) NAMPT
SCHEMBL1299334 0.77

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
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 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-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 NAMPT 3253/4885AKR1C3 119/4885CAMK2A 4644/4885

“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.