SCHEMBL4512277

SCHEMBL4512277

CCCn1nnnc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.64
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4514755 0.86 GRM5 (0.54) GRM5ALDH1A1CYP1A2MEN1CYP2C9
SCHEMBL4523983 0.79 GRM5 (0.71) GRM5
SCHEMBL4502545 0.78 GRM5 (1.00) GRM5
SCHEMBL4508247 0.78 GRM5 (1.00) GRM5
SCHEMBL4519571 0.76 GRM5 (0.80) GRM5
SCHEMBL4512901 0.75 GRM5 (0.66) GRM5
SCHEMBL4521069 0.74 GRM5 (0.77) GRM5
SCHEMBL3635677 0.74 GRM5 (1.00) GRM5ALDH1A1
SCHEMBL3632286 0.74 GRM5 (0.82) GRM5
SCHEMBL4522628 0.74 GRM5 (0.61) GRM5

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 3095/4885ALDH1A1 169/4885CYP1A2 9/4885

“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.