SCHEMBL3630176

SCHEMBL3630176

CCCn1c(-c2ccc(Nc3ccc(OC)cc3)nc2)nc2cccc(Cl)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.57
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HSD17B10 Q99714 2/20 0.44
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
NPC1 O15118 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNK O75909 1/20 0.39
CCND3 P30281 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL3629201 0.90 GRM5 (0.60) GRM5CNR2MAPT
SCHEMBL3637528 0.90 GRM5 (0.60) GRM5KDM4EALDH1A1GAATSHR
SCHEMBL3633601 0.89 KDM4E (0.58) GRM5KDM4EALDH1A1GAATSHR
SCHEMBL3636815 0.89 KDM4E (0.48) GRM5KDM4EALDH1A1GAATSHR
SCHEMBL3635765 0.89 GRM5 (0.58) GRM5KDM4EALDH1A1GAATSHR
SCHEMBL3635770 0.88 MEN1 (0.46) GRM5KDM4EALDH1A1GAALMNA
SCHEMBL3636829 0.87 GRM5 (0.75) GRM5KDM4EALDH1A1GAATSHR
SCHEMBL3634762 0.86 GRM5 (0.77) GRM5KDM4EALDH1A1GAATSHR
SCHEMBL3634832 0.84 GRM5 (0.56) GRM5KDM4EALDH1A1HTTHPGD
SCHEMBL3633414 0.84 GRM5 (0.47) GRM5KDM4EALDH1A1GAATSHR

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 2938/4885ALDH1A1 45/4885

“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.