SCHEMBL482770

SCHEMBL482770

CC(=O)N1c2ccc3ncccc3c2C(NC(=O)OCc2ccccc2)CC1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
BRD2 P25440 3/20 0.38
BRD3 Q15059 3/20 0.38
NAAA Q02083 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CPB1 P15086 1/20 0.37
PREP P48147 2/20 0.36

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
SCHEMBL482769 0.79 NSD2 (0.41) BRD4
SCHEMBL482605 0.79 NAAA (0.41) NAAACPB1
SCHEMBL482931 0.79 PREP (0.36) BRD4HDAC1HDAC7HDAC6HDAC9
SCHEMBL482932 0.78 BRD4 (0.36) BRD4HDAC1HDAC7HDAC6HDAC9
SCHEMBL483038 0.76 RORC (0.35) BRD4HDAC1HDAC7HDAC6HDAC9
SCHEMBL482408 0.75 BRD4 (0.52) BRD4BRD2BRD3
SCHEMBL483039 0.75 BRD4 (0.36) BRD4HDAC1HDAC7HDAC6HDAC9
SCHEMBL482713 0.75 HTR6 (0.39) BRD4HDAC1HDAC6NAAA
SCHEMBL482744 0.74 BRD4 (0.42) BRD4BRD2BRD3
SCHEMBL19472542 0.73 BRD4 (0.56) BRD4HDAC1HDAC7HDAC6HDAC9

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 BRD4 1271/4885HDAC1 1240/4885HDAC7 1101/4885

“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.