SCHEMBL2439744

SCHEMBL2439744

O=C1CCN(Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
LMNA P02545 2/20 0.60
TACR1 P25103 2/20 0.58
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
FAAH O00519 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRM3 P20309 1/20 0.47
S1PR1 P21453 1/20 0.46
GRK5 P34947 1/20 0.46
CDK8 P49336 1/20 0.46
S1PR5 Q9H228 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL4698249 0.91 KDM4E (0.70) KDM4EALDH1A1GAALMNATACR1
SCHEMBL11747882 0.80 SIGMAR1 (0.56) KDM4EALDH1A1GAALMNATACR1
SCHEMBL4244138 0.79 ALDH1A1 (0.97) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL9829721 0.78 MEN1 (0.54) KDM4EALDH1A1FAAHMAPTMEN1
SCHEMBL14614747 0.78 BCL2L1 (0.47) ALDH1A1DRD2DRD3SIGMAR1CHRM3
SCHEMBL17366014 0.78 SLC6A5 (0.42) ALDH1A1GAASIGMAR1SMN1; SMN2MEN1
SCHEMBL30341002 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL4235961 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAALMNAFAAH
SCHEMBL1854844 0.77 KDM4E (0.54) KDM4EALDH1A1GAALMNATACR1
SCHEMBL1854687 0.77 KDM4E (0.54) KDM4EALDH1A1GAALMNATACR1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 EP disclosed
US-8778628-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-15 US disclosed
US-8778628-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-15 US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 US disclosed
US-8362274-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-29 US disclosed
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2011-09-08 US disclosed
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2011-09-08 US disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
EP-1757582-A1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-02-28 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 (4 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-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME NAT1, INMT, ARSA KDM4E 1369/4885ALDH1A1 213/4885GAA 395/4885
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 KDM4E 2828/4885ALDH1A1 3487/4885GAA 3620/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 KDM4E 2828/4885ALDH1A1 3487/4885GAA 3620/4885
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 KDM4E 2828/4885ALDH1A1 3487/4885GAA 3620/4885

“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.