SCHEMBL4514307

SCHEMBL4514307

Clc1ccc(Nc2ccc(-c3nccn3CC3CC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.40
GABRG2 P18507 7/20 0.40
GABRB3 P28472 7/20 0.40
GABRA5 P31644 7/20 0.40
GABRA1 P14867 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
KCNH2 Q12809 1/20 0.38
NR3C1 P04150 1/20 0.36
CNR2 P34972 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL4528975 0.83 GRM5 (0.44) GRM5BRD4
SCHEMBL4513339 0.82 GRM5 (0.48) GRM5BRD4
SCHEMBL4524435 0.81 LIMK2 (0.50) NR3C1CNR2BRD4
SCHEMBL4517225 0.81 BRD4 (0.40) GRM5BRD4
SCHEMBL4559457 0.77 PIK3CA (0.43) GRM5GABRG2GABRB3GABRA5
SCHEMBL4515632 0.77 GRM5 (0.43) GRM5
SCHEMBL4522322 0.75 GRM5 (0.40) GRM5NR3C1
SCHEMBL4519722 0.73 KDR (0.45) GRM5
SCHEMBL1078962 0.68 KDM4C (0.45) BRD4
SCHEMBL2208730 0.67 BRD4 (0.53) KCNH2BRD4

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 3095/4885GABRG2 1281/4885GABRB3 797/4885

“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.