SCHEMBL4511986

SCHEMBL4511986

Clc1ccc(Nc2ccc(-c3nnc4n3CCCC4)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.64
HTT P42858 2/20 0.64
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GRM5 P41594 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD11B1 P28845 4/20 0.44
AR P10275 1/20 0.44
RAB9A P51151 1/20 0.44
HSD11B2 P80365 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL4508441 0.81 GRM5 (0.72) HPGDHTTKMT2AMEN1GRM5
SCHEMBL4522715 0.81 GRM5 (0.71) HPGDHTTKMT2AMEN1GRM5
SCHEMBL4517536 0.81 GRM5 (0.71) HPGDHTTKMT2AMEN1GRM5
SCHEMBL4517203 0.81 GRM5 (0.71) HPGDHTTKMT2AMEN1GRM5
SCHEMBL2858672 0.79 HPGD (1.00) HPGDHTTKMT2AMEN1SMN1; SMN2
SCHEMBL2851403 0.77 HPGD (0.68) HPGDHTTKMT2AMEN1SMN1; SMN2
SCHEMBL4518525 0.70 KDM4E (0.64) HPGDKMT2AMEN1GRM5SMN1; SMN2
SCHEMBL4515632 0.69 GRM5 (0.43) KMT2AGRM5ALDH1A1RAB9A
SCHEMBL28402729 0.68 MAPT (0.57) GRM5
SCHEMBL29501822 0.68 MAPT (0.57) 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 HPGD 424/4885HTT 2582/4885KMT2A 2114/4885

“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.