SCHEMBL19002807

SCHEMBL19002807

CCC(=O)N1CCNC(Cc2ccc(F)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MLNR O43193 7/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX2 P34913 1/20 0.42
PARP1 P09874 1/20 0.39

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
SCHEMBL19002804 0.87 CA1 (0.58) CA1CA2CA4CA9ALDH1A1
SCHEMBL19049077 0.87 CCR3 (0.48) CCR3CA1CA2CA4CA9
SCHEMBL19002803 0.85 CA1 (0.44) CCR3CA1CA2CA4CA9
SCHEMBL20665204 0.84 CCR3 (0.44) CCR3CA1CA2CA4CA9
SCHEMBL21900620 0.84 CCR3 (0.44) CCR3CA1CA2CA4CA9
SCHEMBL18947215 0.79 EPHX2 (0.43) ALDH1A1SMN1; SMN2MLNRCYP3A4EPHX2
SCHEMBL13859660 0.76 PLG (0.40) CCR3ALDH1A1
SCHEMBL19002806 0.76 CCR3 (0.47) CCR3CA1CA2CA4CA9
SCHEMBL26835411 0.76 CHRNB2 (0.46) CA1CA2CA4CA9ALDH1A1
SCHEMBL16508868 0.74 CHRNB2 (0.44) CA1CA2CA4CA9ALDH1A1

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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CCR3 910/4885CA1 4238/4885CA2 4222/4885

“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.