SCHEMBL3636829

SCHEMBL3636829

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

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.75
PDE10A Q9Y233 3/20 0.38
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CNR2 P34972 1/20 0.35
CASR P41180 1/20 0.34
MAPK10 P53779 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3637528 0.90 GRM5 (0.60) GRM5PDE10AMAPTNPSR1CNR2
SCHEMBL3629201 0.90 GRM5 (0.60) GRM5PDE10AMAPTCNR2MAPK10
SCHEMBL3637919 0.90 GRM5 (0.77) GRM5MAPTNPSR1CASRMAPK10
SCHEMBL3636739 0.89 GRM5 (0.60) GRM5PDE10AMAPTNPSR1CNR2
SCHEMBL3636267 0.88 GRM5 (0.77) GRM5MAPTNPSR1MAPK10KDM4E
SCHEMBL3635686 0.87 GRM5 (0.58) GRM5PDE10ANPSR1CASRKDM4E
SCHEMBL3630176 0.87 GRM5 (0.57) GRM5MAPTNPSR1CNR2KDM4E
SCHEMBL3634832 0.86 GRM5 (0.56) GRM5KDM4EALDH1A1
SCHEMBL3634276 0.85 GRM5 (0.79) GRM5MAPTNPSR1CNR2CASR
SCHEMBL3635491 0.85 GRM5 (0.65) GRM5PDE10AMAPTNPSR1KDM4E

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 4545/4885PDE10A 904/4885MAPT 995/4885

“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.