SCHEMBL3633632

SCHEMBL3633632

CCCn1c(-c2cnc(Nc3ccc4ncccc4c3)c(Cl)c2)nc2cccc(Cl)c21

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.77
EGFR P00533 3/20 0.42
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42
TGFBR1 P36897 1/20 0.40
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
GRM4 Q14833 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL3633595 0.91 GRM5 (0.77) GRM5EGFRKDM4ELMNAABCB1
SCHEMBL3635543 0.90 GRM5 (0.78) GRM5
SCHEMBL3633520 0.87 GRM5 (1.00) GRM5
SCHEMBL3632286 0.87 GRM5 (0.82) GRM5
SCHEMBL3634911 0.86 GRM5 (0.78) GRM5EGFRTGFBR1KDM4ELMNA
SCHEMBL3635835 0.85 GRM5 (0.77) GRM5EGFRERBB2ERBB4ABCG2
SCHEMBL3634654 0.85 GRM5 (0.76) GRM5EGFRABCG2
SCHEMBL3635831 0.85 GRM5 (0.82) GRM5EGFRLMNA
SCHEMBL3634762 0.84 GRM5 (0.77) GRM5EGFRKDM4ELMNA
SCHEMBL3635787 0.83 GRM5 (0.75) GRM5ABCG2

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 4545/4885EGFR 4071/4885ERBB2 3959/4885

“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.