SCHEMBL3058010

SCHEMBL3058010

COC(=O)CCn1ccc2cccc(N3Cc4cccc(Cl)c4C3=O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
POLB P06746 3/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NOTUM Q6P988 1/20 0.34
ESR1 P03372 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
PTPN7 P35236 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BDKRB1 P46663 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL3042444 0.90 POLB (0.42) GRM1HTR2AHTR2CHTR2BPOLB
SCHEMBL2878484 0.88 GRM1 (0.38) GRM1HTR2AHTR2CHTR2BPOLB
SCHEMBL13139568 0.83 GRM1 (0.41) GRM1HTR2AHTR2CHTR2BPOLB
SCHEMBL3049396 0.82 GRM1 (0.39) GRM1HTR2AHTR2CHTR2BPOLB
SCHEMBL3047446 0.81 HTR2C (0.47) GRM1HTR2AHTR2CHTR2BPOLB
SCHEMBL3058009 0.80 GRM1 (0.39) GRM1HTR2AHTR2CHTR2BPOLB
SCHEMBL3052387 0.75 BDKRB1 (0.44) BDKRB1
SCHEMBL3051491 0.75 BDKRB1 (0.58) BDKRB1
SCHEMBL3042441 0.74 GRM1 (0.42) GRM1HTR2AHTR2CHTR2BPOLB
SCHEMBL2866149 0.72 KDM4E (0.41) POLBKDM4EHSD17B10PARP1

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 GRM1 779/4885HTR2A 85/4885HTR2C 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.