SCHEMBL2463722

SCHEMBL2463722

CCCCCCCOc1ccc(CCC(CO)(COP(=O)(Cc2ccccc2)Cc2ccccc2)NC(=O)OC(C)(C)C)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CASR P41180 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2466787 1.00 ALDH1A1 (0.42) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL80906 0.94 S1PR1 (0.42) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL13851935 0.91 ALDH1A1 (0.44) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL13851939 0.91 ALDH1A1 (0.44) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL86680 0.84 S1PR1 (0.41) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL2466790 0.82 ALDH1A1 (0.39) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL2463726 0.82 ALDH1A1 (0.39) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL2463693 0.79 S1PR1 (0.50) S1PR1S1PR3AAK1
SCHEMBL80907 0.76 AAK1 (0.36) ALDH1A1HPGDS1PR1S1PR3AAK1
SCHEMBL80239 0.73 MRGPRX4 (0.38) HPGDS1PR1S1PR3AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1961734-B1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-14 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US 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 (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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 ALDH1A1 843/4885HPGD 1596/4885S1PR1 370/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 ALDH1A1 843/4885HPGD 1596/4885S1PR1 370/4885

“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.