SCHEMBL21029148

SCHEMBL21029148

CC(C)(C)OC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.63
CTSD P07339 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 4/20 0.41
EPHX2 P34913 3/20 0.41
FPR2 P25090 1/20 0.41
EPHX1 P07099 1/20 0.40
P2RX7 Q99572 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
ACACB O00763 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
GRIN2B Q13224 2/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL4367182 1.00 AAK1 (0.63) AAK1CTSDPPARGPPARAEPHX2
SCHEMBL548006 0.87 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL3219664 0.87 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL548007 0.87 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL21029262 0.87 AAK1 (0.60) AAK1PPARGPPARA
SCHEMBL30949486 0.86 AAK1 (0.65) AAK1CTSDPPARGPPARAEPHX2
SCHEMBL18511393 0.86 AAK1 (0.65) AAK1CTSDPPARGPPARAITGA4
SCHEMBL4368334 0.86 FPR2 (0.48) AAK1CTSDPPARGPPARAEPHX2
SCHEMBL4367158 0.86 FPR2 (0.48) AAK1CTSDPPARGPPARAEPHX2
SCHEMBL18482288 0.86 AAK1 (0.45) AAK1CTSDPPARGPPARAEPHX2

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 956/4885CTSD 2544/4885PPARG 652/4885

“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.