SCHEMBL3058009

SCHEMBL3058009

CC(Cn1ccc2cccc(N3Cc4cccc(Cl)c4C3=O)c21)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.39
BACE1 P56817 1/20 0.35
BDKRB1 P46663 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
PARP1 P09874 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NPY5R Q15761 1/20 0.33
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
NR4A1 P22736 1/20 0.32
APEX1 P27695 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 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
SCHEMBL3049396 0.85 GRM1 (0.39) GRM1BDKRB1KDM4EHTR2AHTR2C
SCHEMBL13139568 0.84 GRM1 (0.41) GRM1BDKRB1KDM4EHTR2AHTR2C
SCHEMBL2878484 0.83 GRM1 (0.38) GRM1BDKRB1KDM4EHTR2AHTR2C
SCHEMBL3042441 0.83 GRM1 (0.42) GRM1BDKRB1KDM4EHTR2AHTR2C
SCHEMBL3042444 0.81 POLB (0.42) GRM1BDKRB1KDM4EHTR2AHTR2C
SCHEMBL3047445 0.81 HTR2A (0.41) GRM1BDKRB1KDM4EHTR2AHTR2C
SCHEMBL3058010 0.80 GRM1 (0.40) GRM1BDKRB1KDM4EHTR2AHTR2C
SCHEMBL3061732 0.71 HTR2A (0.43) BACE1HTR2AHTR2CHTR2BKMT2A
SCHEMBL3050577 0.70 BDKRB1 (0.60) BDKRB1SMN1; SMN2CYP2D6CYP2C19CYP3A4
SCHEMBL3051491 0.69 BDKRB1 (0.58) BDKRB1SMN1; SMN2CYP2D6CYP2C19CYP3A4

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 2 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-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB GRM1 779/4885BACE1 1078/4885BDKRB1 1/4885

“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.