SCHEMBL482658

SCHEMBL482658

CC(=O)N1c2ccc3c(ncn3C(=O)OC(C)(C)C)c2[C@@H](N)C[C@H]1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
BRD4 O60885 10/20 0.35
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
KDM1A O60341 1/20 0.32
SCN9A Q15858 1/20 0.32
CCL2 P13500 2/20 0.32
EP300 Q09472 1/20 0.32
BRDT Q58F21 1/20 0.32
CREBBP Q92793 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL483053 0.85 NOTUM (0.34) NOTUMBRD4BRD2BRD3KDM1A
SCHEMBL482440 0.81 BRD4 (0.46) BRD4BRD2BRD3CCL2EP300
SCHEMBL483038 0.77 RORC (0.35) BRD4BRD2BRD3
SCHEMBL482660 0.72 BRD4 (0.35) NOTUMBRD4BRD2BRD3CCL2
SCHEMBL482486 0.69 BRD4 (0.45) BRD4BRD2BRD3CCL2EP300
SCHEMBL5414470 0.68 HSP90AA1 (0.38) NOTUMPIK3CDABL1EGFRHCK
SCHEMBL6142331 0.67 HSP90AA1 (0.37) SCN9APIK3CDABL1EGFRHCK
SCHEMBL482744 0.66 BRD4 (0.42) NOTUMBRD4BRD2BRD3CCL2
SCHEMBL30346236 0.66 KDM1A (0.44) NOTUMKDM1ASCN9ABCHE
SCHEMBL5873738 0.65 BUB1 (0.34) BRD4CREBBPPIK3CDMAP4K4GPR119

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604030-B2 Fused piperidine compound and pharmaceutical containing same KOWA COMPANY, LTD. (JP) 2013-12-10 US disclosed
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 US disclosed
EP-2412710-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-02-01 EP 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-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ NOTUM 3926/4885BRD4 1271/4885BRD2 1467/4885

“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.