SCHEMBL3537173

SCHEMBL3537173

CCOC(=O)C1CCN(Cc2ccc(-c3nnn(C)n3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HRH3 Q9Y5N1 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CCR8 P51685 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL3539289 0.89 KDM4E (0.61) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL646390 0.80 KMT2A (0.45) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1505913 0.79 ALDH1A1 (0.75) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL1888780 0.78 KDM4E (0.74) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL6093231 0.78 KDM4E (0.77) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL3156422 0.77 KDM4E (0.73) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL12204641 0.77 KDM4E (0.69) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL15198807 0.77 KDM4E (0.65) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3
SCHEMBL608528 0.76 ALDH1A1 (0.76) KDM4EKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6988354 0.76 KDM4E (0.74) KDM4EKMT2AALDH1A1SMN1; SMN2HRH3

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
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
EP-0844825-B1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2002-11-27 EP disclosed
US-6214845-B1 AGRICULTURE FMC CORPORATION 2001-04-10 US disclosed
US-6184234-B1 EFFECTIVE AGRICULTURAL PESTICIDE FOR TOBACCO, BEETS, BEANS, CABBAGE CROPS FMC CORPORATION 2001-02-06 US disclosed
EP-0844825-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORP (US) 2000-04-05 EP disclosed
US-6030987-A Insecticidal N-(substituted arylmethyl)-4-[bis(substituted phenyl or pyridyl)methyl]piperidines FMC CORPORATION (US) 2000-02-29 US disclosed
EP-0844825-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1998-06-03 EP disclosed
WO-1996036228-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL OR PYRIDYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1996-11-21 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 KDM4E 36/4885KMT2A 614/4885ALDH1A1 1706/4885
US-20080090828-A1 N-(substituted arylmethyl)-4-(disubstituted methyl) piperidines and pyridines DDT, DRD4, QDPR KDM4E 46/4885KMT2A 780/4885ALDH1A1 1757/4885

“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.