SCHEMBL3047446

SCHEMBL3047446

COC(=O)CCn1ccc2ccc(N3Cc4cccc(Cl)c4C3=O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
GRM1 Q13255 3/20 0.42
POLB P06746 7/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMO O15229 1/20 0.39
PARP1 P09874 2/20 0.38
BDKRB1 P46663 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
SCHEMBL3052259 0.89 KMO (0.52) HTR2CHTR2AHTR2BGRM1POLB
SCHEMBL13139563 0.84 HTR2C (0.44) HTR2CHTR2AHTR2BGRM1POLB
SCHEMBL13139535 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BGRM1POLB
SCHEMBL3043088 0.82 HTR2A (0.42) HTR2CHTR2AHTR2BGRM1POLB
SCHEMBL3058010 0.81 GRM1 (0.40) HTR2CHTR2AHTR2BGRM1POLB
SCHEMBL3047445 0.80 HTR2A (0.41) HTR2CHTR2AHTR2BGRM1POLB
SCHEMBL13113414 0.80 HTR2C (0.48) HTR2CHTR2AHTR2BGRM1POLB
SCHEMBL3052581 0.79 BDKRB1 (0.53) HTR2CHTR2AHTR2BMAPTPARP1
SCHEMBL3056043 0.79 HTR2C (0.42) HTR2CHTR2AHTR2BGRM1PARP1
SCHEMBL3053108 0.77 BDKRB1 (0.42) HTR2CHTR2AHTR2BGRM1POLB

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 7 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
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

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 HTR2C 221/4885HTR2A 85/4885HTR2B 38/4885

“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.