SCHEMBL14828685

SCHEMBL14828685

COc1ccccc1C(=O)N1CCC[C@H]1C(=O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPK14 Q16539 1/20 0.46
POLB P06746 2/20 0.46
PREP P48147 1/20 0.45
LMNA P02545 2/20 0.45
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL14828703 0.87 MEN1 (0.64) HTTKMT2AMEN1TSHRALDH1A1
SCHEMBL15743803 0.86 HTT (0.56) HTTHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL13570607 0.85 HTR1A (0.57) HTTHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL14664115 0.82 HTT (0.56) HTTHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL14828698 0.82 MEN1 (0.43) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL17502621 0.80 KMT2A (0.68) HTTHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL17502708 0.79 HTT (0.57) HTTHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL6861666 0.77 LMNA (0.61) HTTHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL6861673 0.77 LMNA (0.61) HTTHSP90AA1HSP90AB1KMT2AMEN1
SCHEMBL6866556 0.77 LMNA (0.61) HTTHSP90AA1HSP90AB1KMT2AMEN1

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-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HTT 2767/4885HSP90AA1 93/4885HSP90AB1 57/4885

“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.