SCHEMBL4669013

SCHEMBL4669013

CNC1(CNc2ccc(C)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
GRM5 P41594 1/20 0.36
FPR2 P25090 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
FPR3 P25089 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DDX3X O00571 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
Hydrochloric Acid SCHEMBL4821983 0.98 SYK (0.39) SYKGRM5FPR2SLC22A12FPR3
SCHEMBL4670843 0.83 SLC6A2 (0.37) SYKFPR2FPR3LRRK2
SCHEMBL4670847 0.83 TNF (0.38) SYKLRRK2
SCHEMBL5302085 0.80 KDM1A (0.30) SYKFPR2
SCHEMBL4673438 0.79 FPR2 (0.40) GRM5FPR2FPR3HDAC1HDAC6
SCHEMBL4669074 0.77 RAB9A (0.46)
Fumaric Acid SCHEMBL4823389 0.73 SYK (0.38) SYKFPR2FPR3HDAC1HDAC8
SCHEMBL3632606 0.71 ADRA2A (0.50) SLC22A12HDAC1HDAC8HDAC6NPSR1
SCHEMBL6138308 0.71 CHRNB1 (0.40) GRM5
SCHEMBL20037762 0.70 MAPT (0.43) SLC22A12HDAC1HDAC8HDAC6NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448848-C New polysubstituted 1, 1pyridylaminocyclopropanamine compounds,a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-01-07 CN claimed
EP-1757586-B1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG SERVIER LAB (FR) 2008-12-03 EP claimed
US-20080146621-A1 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds LES LABORATORIES SERVIER (FR) 2008-06-19 US claimed
US-7388022-B2 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-06-17 US claimed
EP-1757586-A1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG Les Laboratoires Servier (FR) 2007-02-28 EP claimed
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 US claimed
CN-1903844-A New polysubstituted 1, 1pyridylaminocyclopropanamine compounds,a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-01-31 CN claimed
CN-100448848-C New polysubstituted 1, 1pyridylaminocyclopropanamine compounds,a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-01-07 CN disclosed
EP-1757586-B1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG SERVIER LAB (FR) 2008-12-03 EP disclosed
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-20080146621-A1 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds LES LABORATORIES SERVIER (FR) 2008-06-19 US disclosed
US-7388022-B2 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2008-06-17 US disclosed
EP-1757586-A1 POLYSBUSTITUIRTE 1,1-PYRIDINYLAMINOCYCLOPROPANAMIN DERIVATE, VERFAHREN ZU DEREN HERSTELLUNG UND DIESE ENTHALTENDE PHARMATUETISCHE ZUSAMMENSETZUNG Les Laboratoires Servier (FR) 2007-02-28 EP disclosed
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds LES LABORATOIRES SERVIER (FR) 2007-02-01 US disclosed
CN-1903844-A New polysubstituted 1, 1pyridylaminocyclopropanamine compounds,a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-01-31 CN disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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 (3 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 SYK 3784/4885GRM5 4361/4885FPR2 3564/4885
US-20080146621-A1 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds CHRNA1, CHRM1, CHRNA9 SYK 4424/4885GRM5 214/4885FPR2 676/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 SYK 4156/4885GRM5 92/4885FPR2 746/4885

“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.