SCHEMBL13707017

SCHEMBL13707017

O=C1CCCc2nc(-c3nc(F)c(-c4ccccc4)o3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
USP1 O94782 1/20 0.34
USP19 O94966 1/20 0.34
WDR48 Q8TAF3 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 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
SCHEMBL13706983 0.88 USP2 (0.39) GRM5ALDH1A1USP2KMT2AUSP1
SCHEMBL8243862 0.81 ALDH1A1 (0.52) GRM5ALDH1A1NPSR1KDM4EHPGD
SCHEMBL13706921 0.80 GRM5 (0.47) GRM5ALDH1A1NPSR1USP1USP19
SCHEMBL30558432 0.79 GRM5 (0.57) GRM5ALDH1A1NPSR1USP2MAPT
SCHEMBL5039087 0.79 GRM5 (0.57) GRM5ALDH1A1NPSR1USP2MAPT
SCHEMBL4335376 0.78 GRM5 (0.59) GRM5ALDH1A1NPSR1L3MBTL1KDM4E
SCHEMBL4421873 0.76 GRM5 (0.55) GRM5ALDH1A1NPSR1USP2MAPT
SCHEMBL8284859 0.75 TSHR (0.46) GRM5ALDH1A1NPSR1USP2MAPT
SCHEMBL4420170 0.72 GRM5 (0.47) GRM5ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL13673591 0.72 GRM5 (0.51) GRM5ALDH1A1MAPTKMT2AKDM4E

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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US disclosed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 GRM5 2/4885ALDH1A1 2587/4885NPSR1 231/4885

“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.