SCHEMBL789181

SCHEMBL789181

CC(C)Oc1nc2ccccc2nc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 4/20 0.42
ATM Q13315 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TLR8 Q9NR97 1/20 0.41
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NQO2 P16083 2/20 0.34
MCHR1 Q99705 1/20 0.34
POLB P06746 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL8024194 0.82 NQO2 (0.44) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL789376 0.81 KDM4E (0.46) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL789372 0.81 KDM4E (0.46) KDM4EMEN1KMT2AMAPTL3MBTL1
SCHEMBL789344 0.81 MAPT (0.42) KDM4EMEN1KMT2AMAPTATM
SCHEMBL789176 0.80 KDM4E (0.41) KDM4EMEN1KMT2AMAPTNPC1
SCHEMBL21303166 0.80 MEN1 (0.37) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL18684819 0.80 MEN1 (0.37) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL21303167 0.80 MEN1 (0.37) KDM4EMEN1KMT2AMAPTTSHR
SCHEMBL20248262 0.80 MEN1 (0.37) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL789356 0.80 KDM4E (0.41) KDM4EMEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2019-08-29 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-9193740-B2 Bismacrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 US disclosed
US-20110123496-A1 BISMACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-05-26 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 (6 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885
US-20110123496-A1 BISMACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS PRSS1, CTSC, CES1 KDM4E 1738/4885MEN1 4228/4885KMT2A 3297/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD KDM4E 1290/4885MEN1 4449/4885KMT2A 3360/4885

“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.