SCHEMBL4670843

SCHEMBL4670843

CNC1(CNc2ccc(Br)nc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SYK P43405 1/20 0.36
FDFT1 P37268 1/20 0.36
FPR3 P25089 2/20 0.33
FPR2 P25090 2/20 0.33
LRRK2 Q5S007 1/20 0.32
CYP11B1 P15538 1/20 0.32
METTL3 Q86U44 1/20 0.32

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
Fumaric Acid SCHEMBL4823375 0.88 SYK (0.38) SLC6A2SLC6A4SLC6A3SYKFDFT1
Fumaric Acid SCHEMBL4823389 0.88 SYK (0.38) SLC6A2SLC6A4SLC6A3SYKFDFT1
SCHEMBL4669013 0.83 SYK (0.39) SYKFPR3FPR2LRRK2
SCHEMBL5302085 0.82 KDM1A (0.30) SYKFPR2
Hydrochloric Acid SCHEMBL4821983 0.81 SYK (0.39) SYKFPR3FPR2
SCHEMBL4670847 0.81 TNF (0.38) SYKLRRK2
SCHEMBL4669074 0.73 RAB9A (0.46)
SCHEMBL1585755 0.72 ADRA2A (0.49) SLC6A2SLC6A4SLC6A3FDFT1CYP11B1
SCHEMBL4821917 0.71 FDFT1 (0.36) SLC6A2SLC6A4SLC6A3FDFT1FPR3
Hydrochloric Acid SCHEMBL2714669 0.71 ADRA2A (0.51) SLC6A2SLC6A4SLC6A3FDFT1

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 14 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080146621-A1 Polysubstituted 1,1-pyridylaminocyclopropanamine compounds CHRNA1, CHRM1, CHRNA9 SLC6A2 436/4885SLC6A4 595/4885SLC6A3 640/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 SLC6A2 479/4885SLC6A4 541/4885SLC6A3 579/4885

“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.