SCHEMBL86405

SCHEMBL86405

FC(F)(F)c1cc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
RXRB P28702 3/20 0.49
RXRG P48443 3/20 0.49
MRGPRX4 Q96LA9 7/20 0.46
S1PR1 P21453 3/20 0.43
CTSS P25774 1/20 0.42
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
AR P10275 1/20 0.38
PTGER1 P34995 1/20 0.38
FOLH1 Q04609 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL14114732 0.84 S1PR1 (0.39) RXRARXRBRXRGS1PR1HTR2C
SCHEMBL79415 0.81 RXRA (0.52) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL79041 0.81 RXRA (0.56) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL6812974 0.79 CYP4F2 (0.54) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL18924486 0.79 RXRA (0.50) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL20756090 0.78 RXRA (0.54) RXRARXRBRXRGMRGPRX4CTSS
SCHEMBL13249285 0.78 PTPN7 (0.39) SLC6A4AR
SCHEMBL3726426 0.77 PTGER1 (0.54) RXRARXRBRXRGMRGPRX4SLC6A4
SCHEMBL14453588 0.77 MRGPRX4 (0.50) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL656838 0.77 MRGPRX4 (0.50) RXRARXRBRXRGMRGPRX4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
CN-101346346-B Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP 2012-08-22 CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
CN-101346346-A Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP (JP) 2009-01-14 CN disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 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 (3 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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 RXRA 2471/4885RXRB 2398/4885RXRG 2190/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 RXRA 2471/4885RXRB 2398/4885RXRG 2190/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C RXRA 2753/4885RXRB 2681/4885RXRG 2612/4885

“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.