SCHEMBL4670529

SCHEMBL4670529

CNC1(CN(C)c2cccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CHRNA7 P36544 1/20 0.35
HTT P42858 1/20 0.35
KCNA5 P22460 1/20 0.34

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 SCHEMBL4820570 0.98 CHRNB2 (0.36) CHRNB2CHRNA4HDAC6KDM4EOPRM1
SCHEMBL4670342 0.81 OPRM1 (0.41) CHRNB2CHRNA4OPRM1OPRL1CHRNA7
SCHEMBL4670889 0.80 CHRNB2 (0.40) CHRNB2CHRNA4HDAC6KDM4EOPRM1
SCHEMBL4669413 0.79 KDM1A (0.35)
Hydrochloric Acid SCHEMBL4825133 0.78 CHRNB2 (0.39) CHRNB2CHRNA4KDM4EOPRM1OPRL1
SCHEMBL4669095 0.78 CHRNB2 (0.39) CHRNB2CHRNA4HDAC6OPRM1OPRL1
Hydrochloric Acid SCHEMBL4827048 0.77 CHRNB2 (0.38) CHRNB2CHRNA4HDAC6OPRM1OPRL1
SCHEMBL4670343 0.75
SCHEMBL4672795 0.75 MEN1 (0.34) CHRNB2CHRNA4CHRNA7
SCHEMBL4669074 0.72 RAB9A (0.46) KDM4E

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 CHRNB2 28/4885CHRNA4 5/4885HDAC6 925/4885
US-20070027192-A1 Polysubstituted 1,1-pyridylamioncyclopropanamine compounds CHRM1, CHRM2, CHRM3 CHRNB2 25/4885CHRNA4 7/4885HDAC6 1084/4885

“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.