SCHEMBL3633709

SCHEMBL3633709

CCCn1c(-c2cnc(Nc3ccc(C(=O)OC)nc3)c(Cl)c2)nc2cccc(Cl)c21

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.75
P2RX3 P56373 1/20 0.40
F9 P00740 1/20 0.35
GALK1 P51570 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3634832 0.87 GRM5 (0.56) GRM5P2RX3GALK1KDM4EALDH1A1
SCHEMBL3635776 0.86 GRM5 (0.80) GRM5
SCHEMBL3633520 0.86 GRM5 (1.00) GRM5
SCHEMBL3636747 0.85 GRM5 (0.75) GRM5
SCHEMBL3635875 0.84 GRM5 (0.80) GRM5
SCHEMBL3634762 0.84 GRM5 (0.77) GRM5KDM4ENPC1ALDH1A1TSHR
SCHEMBL3635831 0.84 GRM5 (0.82) GRM5
SCHEMBL3632286 0.84 GRM5 (0.82) GRM5
SCHEMBL3633409 0.82 GRM5 (0.79) GRM5P2RX3
SCHEMBL3635543 0.82 GRM5 (0.78) GRM5

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 4545/4885P2RX3 499/4885F9 3769/4885

“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.