SCHEMBL949797

SCHEMBL949797

O=C(CCNCCc1cccc(OCCc2ccccc2)c1)OC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KCNH2 Q12809 5/20 0.48
FFAR1 O14842 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CYP2D6 P10635 5/20 0.46
LTA4H P09960 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
BCHE P06276 1/20 0.44

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
SCHEMBL946476 0.95 S1PR1 (0.50) GAAKCNH2CYP2D6MEN1KMT2A
SCHEMBL947190 0.95 GAA (0.50) GAAKCNH2TAAR1CYP2D6LTA4H
SCHEMBL947963 0.94 DRD2 (0.52) GAAKCNH2FFAR1LTA4HMEN1
SCHEMBL950934 0.94 S1PR1 (0.51) GAAKCNH2CYP2D6MEN1KMT2A
SCHEMBL947834 0.93 FFAR1 (0.56) GAAFFAR1TAAR1CYP2D6LTA4H
SCHEMBL949057 0.93 S1PR1 (0.52) GAAKCNH2CYP2D6MEN1KMT2A
SCHEMBL950419 0.93 S1PR1 (0.52) GAAKCNH2CYP2D6MEN1KMT2A
SCHEMBL948652 0.93 S1PR1 (0.52) GAAKCNH2CYP2D6MEN1KMT2A
SCHEMBL951103 0.93 S1PR1 (0.52) GAAKCNH2CYP2D6MEN1KMT2A
SCHEMBL947941 0.93 S1PR1 (0.52) GAAKCNH2CYP2D6MEN1KMT2A

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
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
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 (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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 GAA 4659/4885KCNH2 1238/4885FFAR1 28/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 GAA 4138/4885KCNH2 1903/4885FFAR1 37/4885

“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.