SCHEMBL2439728

SCHEMBL2439728

O=C1CCCN(c2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
KCNH2 Q12809 3/20 0.45
DHFR P00374 1/20 0.44
MLYCD O95822 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CASR P41180 4/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PRKDC P78527 1/20 0.40
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40
CCR6 P51684 1/20 0.40
OPRL1 P41146 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL14638126 0.84 KCNA5 (0.42) KCNH2HRH3FFAR4PRKDC
SCHEMBL17893529 0.82 NOTUM (0.54) NOTUMDRD2DRD3KCNH2DHFR
SCHEMBL12301330 0.81 ALOX5 (0.56) DRD2KCNH2
SCHEMBL7607793 0.77 ALDH1A1 (0.55) NOTUMDRD2DRD3KCNH2DHFR
SCHEMBL10224171 0.74 ALOX5 (0.41) NOTUM
SCHEMBL1813296 0.73 ALOX5 (0.46)
SCHEMBL733779 0.73 NOTUM (0.48) NOTUMDRD2DRD3KCNH2DHFR
SCHEMBL12968842 0.72 ADRA2C (0.56) NOTUMDRD2KCNH2DHFRMLYCD
SCHEMBL1735099 0.72 ADRB1 (0.64) NOTUMDRD2DRD3DHFRMLYCD
SCHEMBL2300499 0.72 DHFR (0.55) NOTUMDRD2DRD3KCNH2DHFR

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 23 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-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-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 US disclosed
US-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 US disclosed
US-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 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 NOTUM 403/4885DRD2 369/4885DRD3 707/4885
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 NOTUM 2981/4885DRD2 512/4885DRD3 717/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 NOTUM 2981/4885DRD2 512/4885DRD3 717/4885
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 NOTUM 2981/4885DRD2 512/4885DRD3 717/4885

“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.