SCHEMBL3635880

SCHEMBL3635880

CC(C)Cn1c(-c2ccc(Nc3ccc(Cl)cc3)nc2)nc2cccc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
S1PR1 P21453 1/20 0.39
RIPK2 O43353 1/20 0.38
PDE10A Q9Y233 4/20 0.37
MAPK10 P53779 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3635996 0.94 GRM5 (0.46) GRM5S1PR1PDE10AALDH1A1SMN1; SMN2
SCHEMBL3635770 0.91 MEN1 (0.46) GRM5PDE10AALDH1A1SMN1; SMN2
SCHEMBL3635686 0.90 GRM5 (0.58) GRM5PDE10AALDH1A1SMN1; SMN2
SCHEMBL3629201 0.87 GRM5 (0.60) GRM5S1PR1PDE10AMAPK10
SCHEMBL3636827 0.82 ALDH1A1 (0.48) GRM5S1PR1ALDH1A1SMN1; SMN2
SCHEMBL3637528 0.81 GRM5 (0.60) GRM5PDE10AALDH1A1
SCHEMBL3635570 0.79 GRM5 (0.49) GRM5S1PR1ALDH1A1SMN1; SMN2
SCHEMBL3630176 0.78 GRM5 (0.57) GRM5ALDH1A1SMN1; SMN2
SCHEMBL3636829 0.77 GRM5 (0.75) GRM5PDE10AMAPK10ALDH1A1
SCHEMBL3633417 0.76 GRM5 (0.60) GRM5RIPK2SMN1; SMN2

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 4545/4885S1PR1 3425/4885RIPK2 4760/4885

“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.