SCHEMBL21029344

SCHEMBL21029344

Cc1cc(C[C@H](N=C(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.58
SLC7A5 Q01650 1/20 0.38
PTPN1 P18031 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
CTSD P07339 2/20 0.33
ACE P12821 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL21029145 0.91 AAK1 (0.58) AAK1SLC7A5PTPN1ITGA4ITGB7
SCHEMBL18511387 0.91 AAK1 (0.61) AAK1SLC7A5PTPN1ITGA4ITGB7
SCHEMBL3750181 0.89 AAK1 (0.58) AAK1SLC7A5PTPN1ITGA4ITGB7
SCHEMBL3750184 0.89 AAK1 (0.58) AAK1SLC7A5PTPN1ITGA4ITGB7
SCHEMBL18256471 0.86 AAK1 (0.57) AAK1SLC7A5PTPN1ITGA4ITGB7
SCHEMBL19088485 0.86 AAK1 (0.57) AAK1SLC7A5PTPN1ITGA4ITGB7
SCHEMBL30191506 0.86 AAK1 (0.57) AAK1SLC7A5PTPN1ITGA4ITGB7
SCHEMBL18511393 0.85 AAK1 (0.65) AAK1SLC7A5ITGA4ITGB7CTSD
SCHEMBL25318449 0.84 AAK1 (0.61) AAK1SLC7A5ITGA4ITGB7CTSS
SCHEMBL30949483 0.84 AAK1 (0.62) AAK1SLC7A5ITGA4ITGB7

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-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 AAK1 956/4885SLC7A5 2250/4885PTPN1 4359/4885

“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.