SCHEMBL3636002

SCHEMBL3636002

Clc1ccc(Nc2ncc(-c3nc4ccccc4n3CC3CC3)cc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.72
BRD4 O60885 2/20 0.44
BAZ2A Q9UIF9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
GSK3B P49841 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL3634663 0.86 GRM5 (0.85) GRM5ALDH1A1MAPT
SCHEMBL3635677 0.84 GRM5 (1.00) GRM5ALDH1A1MAPT
SCHEMBL3635144 0.83 GRM5 (0.82) GRM5ALDH1A1MAPT
SCHEMBL3635380 0.82 GRM5 (0.89) GRM5MAPT
SCHEMBL3635809 0.80 GRM5 (0.76) GRM5ALDH1A1MAPT
SCHEMBL3637910 0.78 GRM5 (0.89) GRM5ALDH1A1MAPT
SCHEMBL3630048 0.78 GRM5 (0.68) GRM5ALDH1A1MAPT
SCHEMBL3635975 0.78 GRM5 (0.88) GRM5ALDH1A1MAPT
SCHEMBL3636759 0.76 GRM5 (1.00) GRM5ALDH1A1MAPT
SCHEMBL3634767 0.75 GRM5 (0.83) GRM5ALDH1A1MAPT

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 4545/4885BRD4 278/4885BAZ2A 2647/4885

“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.