SCHEMBL3635681

SCHEMBL3635681

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

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.71
MAPT P10636 2/20 0.57
CYP11B1 P15538 1/20 0.57
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL3634249 0.84 GRM5 (0.60) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3633793 0.84 GRM5 (0.66) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3635677 0.84 GRM5 (1.00) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3635975 0.83 GRM5 (0.88) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3631813 0.82 MEN1 (0.69) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3637910 0.81 GRM5 (0.89) GRM5MAPTCYP11B1KDM4ELMNA
Methylhydrazine SCHEMBL3670926 0.81 GRM5 (0.68) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3634767 0.81 GRM5 (0.83) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3633839 0.80 MAPT (0.67) GRM5MAPTCYP11B1KDM4ELMNA
SCHEMBL3636026 0.80 GRM5 (1.00) GRM5MAPTCYP11B1KDM4ELMNA

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.