SCHEMBL3389516

SCHEMBL3389516

CC(C)(C)OC(=O)N1CCCC(N2CCC(n3cc(Br)cn3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
FPR2 P25090 2/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
KDM5A P29375 1/20 0.43
OPRM1 P35372 3/20 0.41
OGFRL1 Q5TC84 3/20 0.41
OPRD1 P41143 2/20 0.41
HCAR1 Q9BXC0 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
OPRK1 P41145 2/20 0.40
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 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
SCHEMBL1425547 0.92 FPR2 (0.48) CHRNA7FPR2DDB1CRBNKDM5A
SCHEMBL16899765 0.92 FPR2 (0.48) CHRNA7FPR2DDB1CRBNKDM5A
SCHEMBL1425994 0.92 FPR2 (0.48) CHRNA7FPR2DDB1CRBNKDM5A
SCHEMBL25237232 0.90 DDB1 (0.52) FPR2DDB1CRBNKDM5AHCAR1
SCHEMBL30318146 0.90 DDB1 (0.52) FPR2DDB1CRBNKDM5AHCAR1
SCHEMBL30318773 0.90 DDB1 (0.52) FPR2DDB1CRBNKDM5AHCAR1
SCHEMBL1581678 0.88 KDM5A (0.53) FPR2DDB1CRBNKDM5AEGFR
SCHEMBL1582084 0.88 KDM5A (0.53) FPR2DDB1CRBNKDM5AEGFR
SCHEMBL1428231 0.88 KDM5A (0.53) FPR2DDB1CRBNKDM5AEGFR
SCHEMBL1427617 0.85 DDB1 (0.56) FPR2DDB1CRBNKDM5AJAK3

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-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 EP disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 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-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 CHRNA7 4856/4885FPR2 3771/4885DDB1 919/4885

“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.