SCHEMBL12870976

SCHEMBL12870976

Cc1cc2nc(C3(NC(C)C)CCC3)n(C)c2cc1/C=C/C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.35
HCRTR2 O43614 9/20 0.35
IDH1 O75874 7/20 0.34
MEN1 O00255 1/20 0.31
TDP2 O95551 1/20 0.31
NGF P01138 1/20 0.31
NTRK1 P04629 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12870971 0.87 HCRTR1 (0.36) HCRTR1HCRTR2MEN1MAPTKMT2A
SCHEMBL12871022 0.86 KDM4E (0.31) MEN1KMT2A
SCHEMBL12871013 0.85 HCRTR1 (0.36) HCRTR1HCRTR2IDH1MEN1MAPT
SCHEMBL12870994 0.85 KDM4E (0.39) HCRTR1HCRTR2MEN1MAPTKMT2A
SCHEMBL12870488 0.84 HDAC1 (0.42) MEN1MAPTKMT2A
SCHEMBL12870947 0.82 HDAC1 (0.46) IDH1
SCHEMBL12871035 0.81 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL14533015 0.77 HCRTR1 (0.33) HCRTR1HCRTR2IDH1MEN1TDP2
SCHEMBL12870909 0.75 IP6K1 (0.41) IDH1MAPTRECQLKMT2A
SCHEMBL12871004 0.75 HCRTR1 (0.36) HCRTR1HCRTR2

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 3 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

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 HCRTR1 3215/4885HCRTR2 4027/4885IDH1 1936/4885

“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.