SCHEMBL3636739

SCHEMBL3636739

CCCn1c(-c2ccc(Nc3ccc(CO)nc3)nc2)nc2cccc(Cl)c21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.60
CNR2 P34972 1/20 0.35
GALK1 P51570 1/20 0.34
PDE10A Q9Y233 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CASR P41180 1/20 0.32
VDR P11473 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL3636829 0.89 GRM5 (0.75) GRM5CNR2PDE10AKDM4EALDH1A1
SCHEMBL3629201 0.87 GRM5 (0.60) GRM5CNR2PDE10AMAPT
SCHEMBL3637528 0.87 GRM5 (0.60) GRM5CNR2PDE10AKDM4EALDH1A1
SCHEMBL3635875 0.86 GRM5 (0.80) GRM5MAPT
SCHEMBL3634832 0.84 GRM5 (0.56) GRM5GALK1KDM4EALDH1A1HPGD
SCHEMBL3630176 0.83 GRM5 (0.57) GRM5CNR2KDM4EALDH1A1MAPT
SCHEMBL3637919 0.79 GRM5 (0.77) GRM5KDM4EALDH1A1MAPTCASR
SCHEMBL3636267 0.77 GRM5 (0.77) GRM5KDM4EMAPTLMNANPSR1
SCHEMBL3632524 0.77 GRM5 (0.59) GRM5KDM4EALDH1A1MAPTHPGD
SCHEMBL3635686 0.77 GRM5 (0.58) GRM5PDE10AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 GRM5 4545/4885CNR2 647/4885GALK1 2624/4885

“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.