SCHEMBL3536341

SCHEMBL3536341

COC(=O)[N]c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.44
ADRA2B P18089 4/20 0.44
ADRA2C P18825 4/20 0.44
PLAU P00749 1/20 0.44
F2 P00734 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
CDK5 Q00535 1/20 0.42
PAX8 Q06710 1/20 0.42
CDK5R1 Q15078 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2276925 0.81 LMNA (0.48) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL10841156 0.79 ALDH1A1 (0.50) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL1850145 0.78 ADRA2A (0.44) ADRA2AADRA2BADRA2CPLAUF2
SCHEMBL1851528 0.76 ADRA2A (0.50) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL206947 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL2215019 0.74 NOS3 (0.46) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL5970257 0.73 ADRA2A (0.43) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL2485313 0.73 LMNA (0.50) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL10841472 0.72 KMT2A (0.48) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL28822589 0.71 ADRA2A (0.39) ADRA2AADRA2BADRA2CPLAUF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683070-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION (US) 2010-03-23 US disclosed
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2008-04-17 US disclosed
US-7300946-B2 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines BAYER CROPSCIENCE AG (DE) 2007-11-27 US disclosed
EP-1572207-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORP (US) 2006-11-29 EP disclosed
US-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines FMC CORPORATION 2006-06-22 US disclosed
EP-1572207-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2005-09-14 EP disclosed
WO-2004060371-A1 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL) PIPERIDINES AND PYRIDINES FMC CORPORATION (US) 2004-07-22 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 (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-20060135504-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR ADRA2A 1011/4885ADRA2B 517/4885ADRA2C 315/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR ADRA2A 1079/4885ADRA2B 535/4885ADRA2C 336/4885

“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.