SCHEMBL3637014

SCHEMBL3637014

Cc1ccc(Nc2ccc(-c3nc4cccc(Cl)c4n3CC(C)C)cc2Cl)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.61
CASR P41180 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
VDR P11473 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
FLT4 P35916 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3633413 0.89 GRM5 (0.78) GRM5
SCHEMBL3634276 0.88 GRM5 (0.79) GRM5CASRCNR1CNR2NPSR1
SCHEMBL3635686 0.86 GRM5 (0.58) GRM5CASRALDH1A1SMN1; SMN2NPSR1
SCHEMBL3633851 0.77 GRM5 (0.79) GRM5ALDH1A1SMN1; SMN2NPSR1KMT2A
SCHEMBL3635570 0.76 GRM5 (0.49) GRM5CASRALDH1A1SMN1; SMN2VDR
SCHEMBL3632587 0.76 GRM5 (1.00) GRM5ALDH1A1SMN1; SMN2
SCHEMBL3633520 0.76 GRM5 (1.00) GRM5
SCHEMBL3637919 0.76 GRM5 (0.77) GRM5CASRALDH1A1NPSR1
SCHEMBL3633417 0.76 GRM5 (0.60) GRM5SMN1; SMN2MEN1KMT2A
SCHEMBL3635996 0.76 GRM5 (0.46) GRM5CASRALDH1A1SMN1; SMN2VDR

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 4545/4885CASR 3935/4885CNR1 395/4885

“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.