SCHEMBL14664115

SCHEMBL14664115

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
POLB P06746 2/20 0.51
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK14 Q16539 1/20 0.49
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
HSD11B1 P28845 1/20 0.47
TSHR P16473 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 2/20 0.46
PDE2A O00408 1/20 0.46
PDE3B Q13370 1/20 0.46
TYR P14679 1/20 0.45
PDE4B Q07343 1/20 0.45

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
SCHEMBL14664076 0.87 TSHR (0.64) HTTKMT2ATSHRMEN1
SCHEMBL15743803 0.86 HTT (0.56) HTTPOLBCYP2C9CYP2C19MAPK14
SCHEMBL13570607 0.85 HTR1A (0.57) HTTPOLBCYP2C9CYP2C19MAPK14
SCHEMBL14828685 0.82 HTT (0.56) HTTPOLBCYP2C9CYP2C19MAPK14
SCHEMBL14664144 0.81 RIPK1 (0.42) KMT2ALMNATSHRMEN1
SCHEMBL17502621 0.80 KMT2A (0.68) HTTPOLBCYP2C9CYP2C19MAPK14
SCHEMBL17502708 0.79 HTT (0.57) HTTPOLBCYP2C9CYP2C19MAPK14
SCHEMBL6861666 0.77 LMNA (0.61) HTTCYP2C9CYP2C19MAPK14KMT2A
SCHEMBL6866556 0.77 LMNA (0.61) HTTCYP2C9CYP2C19MAPK14KMT2A
SCHEMBL6861673 0.77 LMNA (0.61) HTTCYP2C9CYP2C19MAPK14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HTT 2767/4885POLB 2039/4885CYP2C9 2875/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HTT 2767/4885POLB 2039/4885CYP2C9 2875/4885

“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.