SCHEMBL1173752

SCHEMBL1173752

CCOc1cc2c(cc1C=CC(=O)OC)nc(C1(N)CCC1)n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.36
AKT2 P31751 6/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP2C9 P11712 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
DPP4 P27487 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
GLA P06280 1/20 0.32
FDPS P14324 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1173749 1.00 AKT1 (0.36) AKT1AKT2KDM4EKMT2ASMN1; SMN2
SCHEMBL12869688 1.00 AKT1 (0.36) AKT1AKT2KDM4EKMT2ASMN1; SMN2
SCHEMBL12885647 0.85 MAPT (0.33) AKT1AKT2MAPT
SCHEMBL973374 0.81 AKT1 (0.47) AKT1AKT2KDM4EKMT2ASMN1; SMN2
SCHEMBL973372 0.81 AKT1 (0.47) AKT1AKT2KDM4EKMT2ASMN1; SMN2
SCHEMBL974029 0.79 HDAC1 (0.47) AKT1AKT2KDM4EKMT2ASMN1; SMN2
SCHEMBL974028 0.79 HDAC1 (0.47) AKT1AKT2KDM4EKMT2ASMN1; SMN2
SCHEMBL12871044 0.78 KDM4E (0.39) KDM4EKMT2ASMN1; SMN2HDAC1HDAC8
SCHEMBL13680346 0.77 TTR (0.46) AKT1HDAC1DPP4FDPS
SCHEMBL12190763 0.77 TTR (0.46) AKT1HDAC1DPP4FDPS

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-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 WO 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A AKT1 3052/4885AKT2 3264/4885KDM4E 3117/4885

“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.