SCHEMBL3636026

SCHEMBL3636026

CCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 1.00
CYP11B1 P15538 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3628685 0.94 GRM5 (1.00) GRM5CYP11B1GAATP53
SCHEMBL3633489 0.93 GRM5 (0.94) GRM5CYP11B1GAATP53
SCHEMBL3636759 0.92 GRM5 (1.00) GRM5CYP11B1MAPTKDM4EALDH1A1
SCHEMBL3635677 0.90 GRM5 (1.00) GRM5CYP11B1MAPTKDM4EALDH1A1
SCHEMBL3637910 0.90 GRM5 (0.89) GRM5CYP11B1MAPTKDM4EALDH1A1
SCHEMBL3635975 0.90 GRM5 (0.88) GRM5CYP11B1MAPTKDM4EALDH1A1
SCHEMBL3634778 0.89 GRM5 (0.86) GRM5KDM4ELMNA
SCHEMBL3632240 0.89 GRM5 (0.86) GRM5CYP11B1
SCHEMBL3634424 0.89 GRM5 (0.86) GRM5
SCHEMBL3632582 0.89 GRM5 (0.81) GRM5KDM4ELMNA

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 4545/4885CYP11B1 33/4885MAPT 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.