SCHEMBL2438027

SCHEMBL2438027

OC1CCN(Cc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ SIGMAR1 Q99720 2/20 0.57
▸ CNR2 P34972 1/20 0.57
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TEAD1 P28347 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TACR1 P25103 2/20 0.54
▸ MAPK1 P28482 1/20 0.52
▸ UBE2M P61081 1/20 0.52
▸ DCUN1D1 Q96GG9 1/20 0.52
▸ S1PR1 P21453 1/20 0.51
▸ GRK5 P34947 1/20 0.51
▸ CDK8 P49336 1/20 0.51
▸ S1PR5 Q9H228 1/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ CACNA1I Q9P0X4 1/20 0.51

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
SCHEMBL2917906 0.88 KDM4E (0.63) ALDH1A1KDM4EGAASIGMAR1CNR2
SCHEMBL13919675 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EGAASIGMAR1CNR2
SCHEMBL30332855 0.86 KDM4E (0.64) ALDH1A1KDM4EGAASIGMAR1CNR2
SCHEMBL23207285 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EGAASIGMAR1CNR2
SCHEMBL1669103 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ESIGMAR1TEAD1LMNA
Hydrochloric Acid SCHEMBL2311784 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EGAASIGMAR1CNR2
Hydrochloric Acid SCHEMBL2311786 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EGAASIGMAR1CNR2
Hydrochloric Acid SCHEMBL30152415 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EGAASIGMAR1CNR2
SCHEMBL13932969 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL25212788 0.81 ALDH1A1 (0.58) ALDH1A1KDM4ESIGMAR1MEN1KMT2A

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 26 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-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-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 ALDH1A1 213/4885KDM4E 1369/4885GAA 395/4885
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 ALDH1A1 3487/4885KDM4E 2828/4885GAA 3620/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 ALDH1A1 3487/4885KDM4E 2828/4885GAA 3620/4885
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 ALDH1A1 3487/4885KDM4E 2828/4885GAA 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.

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