SCHEMBL890187

SCHEMBL890187

CC(C)(C)OC(=O)N1CCCC1c1cc(Br)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
USP30 Q70CQ3 2/20 0.45
UCHL1 P09936 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.41
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
MAPT P10636 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL13154983 1.00 KMT2A (0.45) KMT2AUSP30UCHL1NPSR1LMNA
SCHEMBL14757730 1.00 KMT2A (0.45) KMT2AUSP30UCHL1NPSR1LMNA
SCHEMBL10140978 0.86 NPSR1 (0.43) KMT2AUSP30UCHL1NPSR1LMNA
SCHEMBL13740383 0.84 LMNA (0.48) KMT2AUSP30UCHL1NPSR1LMNA
SCHEMBL22820439 0.84 USP30 (0.46) KMT2AUSP30UCHL1NPSR1LMNA
SCHEMBL31290628 0.83 USP30 (0.47) KMT2AUSP30UCHL1NPSR1LMNA
SCHEMBL26987927 0.83 USP30 (0.47) KMT2AUSP30UCHL1NPSR1LMNA
SCHEMBL19174905 0.83 RIPK1 (0.46) KMT2AUCHL1NPSR1LMNANR1H2
SCHEMBL28525767 0.83 RIPK1 (0.46) KMT2AUCHL1NPSR1LMNANR1H2
SCHEMBL38652154 0.82 ALDH1A1 (0.44) KMT2AUSP30UCHL1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 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 (8 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885USP30 2423/4885UCHL1 2831/4885
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885USP30 2645/4885UCHL1 2715/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885USP30 2423/4885UCHL1 2831/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 KMT2A 1664/4885USP30 2818/4885UCHL1 2053/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885USP30 2423/4885UCHL1 2831/4885
US-20110070196-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885USP30 2645/4885UCHL1 2715/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885USP30 2645/4885UCHL1 2715/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 KMT2A 2992/4885USP30 2645/4885UCHL1 2715/4885

“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.