SCHEMBL4521069

SCHEMBL4521069

CCCn1cc(C(C)(C)C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.77
BCL6 P41182 1/20 0.38
TNF P01375 1/20 0.35
MAPT P10636 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 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
SCHEMBL4518293 0.94 GRM5 (0.68) GRM5BCL6CNR1CNR2
SCHEMBL4519033 0.92 GRM5 (0.64) GRM5BCL6TNFMAPTMAPK13
SCHEMBL4508247 0.87 GRM5 (1.00) GRM5BCL6MAPT
SCHEMBL4517945 0.86 GRM5 (0.75) GRM5BCL6TNFMAPTMAPK13
SCHEMBL4519571 0.85 GRM5 (0.80) GRM5BCL6MAPT
SCHEMBL4523983 0.80 GRM5 (0.71) GRM5BCL6TNF
SCHEMBL4518707 0.80 GRM5 (0.71) GRM5BCL6
SCHEMBL4512883 0.78 GRM5 (0.83) GRM5BCL6MAPT
SCHEMBL4530571 0.77 GRM5 (0.67) GRM5BCL6MAPT
SCHEMBL4502545 0.77 GRM5 (1.00) GRM5BCL6MAPT

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 3095/4885BCL6 2305/4885TNF 4464/4885

“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.