SCHEMBL946935

SCHEMBL946935

O=C(CCNCCc1cccc(OCc2ccc(Cl)cc2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
NR4A2 P43354 1/20 0.46
BCHE P06276 5/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CNR1 P21554 1/20 0.45
SMPD1 P17405 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL947908 0.94 BCHE (0.46) CYP2D6F2PLGNR4A2BCHE
SCHEMBL949974 0.92 CYP2D6 (0.55) CYP2D6NR4A2BCHESMPD1FFAR1
SCHEMBL949822 0.91 SMN1; SMN2 (0.52) NR4A2BCHEMAOAMAOBSMPD1
SCHEMBL947311 0.89 BCHE (0.51) NR4A2BCHEMAOAMAOBMEN1
SCHEMBL947834 0.87 FFAR1 (0.56) CYP2D6BCHETAAR1FFAR1
SCHEMBL946823 0.86 FFAR1 (0.50) CYP2D6BCHEFFAR1
SCHEMBL950038 0.86 BCHE (0.55) CYP2D6BCHEFFAR1
Trifluoroacetic Acid SCHEMBL946934 0.86 FFAR1 (0.54) CYP2D6F2PLGNR4A2BCHE
SCHEMBL947190 0.83 GAA (0.50) CYP2D6MEN1KMT2ATAAR1
SCHEMBL950761 0.83 BCHE (0.54) BCHEMEN1KMT2ATAAR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 CYP2D6 1819/4885F2 575/4885PLG 2825/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYP2D6 594/4885F2 763/4885PLG 693/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYP2D6 594/4885F2 763/4885PLG 693/4885

“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.