SCHEMBL482931

SCHEMBL482931

CC(=O)N1c2ccc3ncn(C(=O)OC(C)(C)C)c3c2[C@@H](NC(=O)OCc2ccccc2)C[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.36
BRD4 O60885 4/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
BRD2 P25440 3/20 0.34
BRD3 Q15059 2/20 0.34
HTR2C P28335 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL483038 0.88 RORC (0.35) BRD4MEN1KMT2ARORCPTGDR2
SCHEMBL483164 0.83 MEN1 (0.38) PREPJAK2JAK1TYK2MEN1
SCHEMBL482932 0.79 BRD4 (0.36) PREPBRD4PTGDR2HDAC1HDAC7
SCHEMBL482770 0.79 BRD4 (0.42) PREPBRD4PTGDR2HDAC1HDAC7
SCHEMBL482486 0.78 BRD4 (0.45) BRD4BRD2BRD3
SCHEMBL483053 0.78 NOTUM (0.34) BRD4BRD2BRD3
SCHEMBL483039 0.73 BRD4 (0.36) BRD4PTGDR2HDAC1HDAC7HDAC6
SCHEMBL483012 0.72 CTSL (0.37) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL19472542 0.69 BRD4 (0.56) BRD4HDAC1HDAC7HDAC6HDAC9
SCHEMBL22990644 0.67 CPB1 (0.47) PREP

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 PREP 538/4885BRD4 1271/4885JAK2 2/4885

“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.