SCHEMBL4511277

SCHEMBL4511277

CC(C)(C)c1cnc(-c2cnc(Nc3ccc(Cl)cc3)c(Cl)c2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.50
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
BCL6 P41182 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MAPK14 Q16539 1/20 0.34
DGAT1 O75907 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL4516647 0.77 GRM5 (0.57) GRM5BCL6
SCHEMBL4518773 0.75 GRM5 (0.61) GRM5BCL6MAPT
SCHEMBL4505307 0.74 GRM5 (0.57) GRM5BCL6MAPT
SCHEMBL4508452 0.73 GRM5 (0.50) GRM5BCL6MKNK1
SCHEMBL4517050 0.73 GRM5 (0.54) GRM5BCL6MAPT
SCHEMBL3632867 0.72 KDR (0.54) GRM5MAPT
SCHEMBL3633502 0.71 GRM5 (0.47) GRM5MAPT
SCHEMBL4517945 0.71 GRM5 (0.75) GRM5BCL6MAPK14MAPT
SCHEMBL27801687 0.71 NPC1 (0.48) GRM5MAPT
SCHEMBL15873609 0.70 GRM5 (0.54) GRM5BCL6MKNK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
US-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
EP-2004624-A1 NOVEL BI-ARYL AMINES Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113276-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007113276-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2007-10-11 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-20090286827-A1 NOVEL BI-ARYL AMINES NAT1, MAOB, CYP2B6 GRM5 3095/4885CNR1 212/4885CNR2 216/4885

“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.