SCHEMBL3637548

SCHEMBL3637548

CCCn1c(-c2ccc(Nc3ccc(C)nc3)nc2)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.69
KDM4E B2RXH2 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 3/20 0.47
MYC P01106 1/20 0.45
CYP11B1 P15538 1/20 0.45
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE10A Q9Y233 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
SCHEMBL3631794 0.88 GRM5 (0.60) GRM5CYP11B1
SCHEMBL3635843 0.87 GRM5 (0.71) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL3634869 0.84 GRM5 (0.60) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL3636829 0.84 GRM5 (0.75) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL3636026 0.82 GRM5 (1.00) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL3633851 0.82 GRM5 (0.79) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL3637420 0.78 GRM5 (0.49) GRM5CYP11B1PDE10A
SCHEMBL3636818 0.77 GRM5 (0.63) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL3635805 0.76 GRM5 (0.57) GRM5MAPTCYP11B1
SCHEMBL3628685 0.76 GRM5 (1.00) GRM5GAACYP11B1TP53HTT

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 4545/4885KDM4E 2938/4885LMNA 3098/4885

“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.