SCHEMBL3635975

SCHEMBL3635975

CCCn1c(-c2cnc(Nc3ccccc3)c(Cl)c2)nc2ccccc21

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.88
MAPT P10636 2/20 0.50
CYP11B1 P15538 1/20 0.50
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3635677 0.94 GRM5 (1.00) GRM5MAPTCYP11B1KDM4EGAA
SCHEMBL3637910 0.94 GRM5 (0.89) GRM5MAPTCYP11B1KDM4EGAA
SCHEMBL3634767 0.93 GRM5 (0.83) GRM5MAPTCYP11B1KDM4EGAA
SCHEMBL3635721 0.90 GRM5 (0.82) GRM5MAPTKDM4EGAAALDH1A1
SCHEMBL3636026 0.90 GRM5 (1.00) GRM5MAPTCYP11B1KDM4EGAA
SCHEMBL3635380 0.88 GRM5 (0.89) GRM5MAPTGAATP53
SCHEMBL3634663 0.85 GRM5 (0.85) GRM5MAPTKDM4EALDH1A1NPSR1
SCHEMBL3628685 0.84 GRM5 (1.00) GRM5CYP11B1GAATP53
SCHEMBL3633489 0.83 GRM5 (0.94) GRM5CYP11B1GAATP53
SCHEMBL3635681 0.83 GRM5 (0.71) GRM5MAPTCYP11B1KDM4EGAA

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 4545/4885MAPT 995/4885CYP11B1 33/4885

“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.