SCHEMBL2873283

SCHEMBL2873283

CCOC(=O)Cn1ccc2ccc(N3Cc4cccc(C)c4C3=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
PARP1 P09874 5/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RECQL P46063 2/20 0.38
BLM P54132 2/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
MCL1 Q07820 2/20 0.38
ESR1 P03372 1/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL2878296 0.88 PARP1 (0.45) PARP1HTR2CHTR2BHSD17B10POLB
SCHEMBL13139535 0.79 HTR2C (0.42) PARP1HTR2CHTR2BHSD17B10MAPT
SCHEMBL13113346 0.78 PARP1 (0.46) PARP1HTR2CHTR2BHSD17B10MAPT
SCHEMBL13139563 0.77 HTR2C (0.44) PARP1HTR2CHTR2BHSD17B10MAPT
SCHEMBL3043088 0.76 HTR2A (0.42) PARP1HTR2CHTR2BHSD17B10MAPT
SCHEMBL3057224 0.75 BDKRB1 (0.53) PARP1ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL2873285 0.74 MCL1 (0.43) HSD17B10ALDH1A1MAPTPOLBKDM4E
SCHEMBL3047446 0.74 HTR2C (0.47) PARP1HTR2CHTR2BHSD17B10MAPT
SCHEMBL13113345 0.71 PARP1 (0.46) PARP1HTR2CHTR2BHSD17B10POLB
SCHEMBL15127563 0.71 MEN1 (0.37) ALOX15HTR2CHTR2BHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB ALOX15 1702/4885PARP1 1694/4885HTR2C 221/4885

“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.