SCHEMBL3634834

SCHEMBL3634834

CCCn1c(-c2ccc(O)nn2)nc2cccc(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
PRMT5 O14744 1/20 0.39
PSMB8 P28062 1/20 0.36
ESR1 P03372 2/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.34
TLR8 Q9NR97 1/20 0.34
S1PR1 P21453 1/20 0.34
PLK1 P53350 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
CASR P41180 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL3629788 0.88 GRM5 (0.47) GRM5PRMT5PSMB8ESR1KDM4E
SCHEMBL3628373 0.80 ALDH1A1 (0.56) KDM4ELMNAALDH1A1TSHRHPGD
SCHEMBL3634838 0.79 GRM5 (0.49) GRM5PRMT5KDM4ELMNAHPGD
SCHEMBL3633414 0.76 GRM5 (0.47) GRM5KDM4ELMNAALDH1A1TSHR
SCHEMBL3635491 0.76 GRM5 (0.65) GRM5PRMT5KDM4ELMNAMAPT
SCHEMBL8123776 0.76 PRMT5 (0.49) GRM5PRMT5PSMB8ESR1KDM4E
SCHEMBL3633643 0.73 GRM5 (0.61) GRM5PRMT5PSMB8KDM4ELMNA
Hydrochloric Acid SCHEMBL3633719 0.72 GRM5 (0.52) GRM5PRMT5PSMB8ESR1KDM4E
SCHEMBL3632524 0.72 GRM5 (0.59) GRM5PRMT5PSMB8ESR1KDM4E
SCHEMBL3633369 0.71 GRM5 (0.55) GRM5PRMT5PSMB8ESR1KDM4E

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 5 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
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 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
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 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 4545/4885PRMT5 2809/4885PSMB8 2895/4885

“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.