SCHEMBL5722004

SCHEMBL5722004

NCc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
S1PR1 P21453 3/20 0.47
S1PR3 Q99500 1/20 0.47
S1PR5 Q9H228 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.46
PLA2G4B P0C869 1/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
NAAA Q02083 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL9819872 0.84 DRD2 (0.50) FFAR1MAOAMAOBNAAA
SCHEMBL9819860 0.84 FFAR1 (0.64) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL437699 0.82 FFAR1 (0.48) FFAR1S1PR1TDP1L3MBTL1
SCHEMBL949121 0.82 L3MBTL1 (0.50) FFAR1S1PR1S1PR3S1PR5TDP1
SCHEMBL450901 0.80 BCHE (0.54) MAOB
SCHEMBL450711 0.80 PPARG (0.52) FFAR1S1PR1S1PR3S1PR5TDP1
SCHEMBL450741 0.80 HTR2A (0.63) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL4658022 0.80 FFAR1 (0.62) FFAR1S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL9819826 0.79 FFAR1 (0.63) FFAR1S1PR1S1PR3MAOB
SCHEMBL450172 0.79 HRH3 (0.57)

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
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 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
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 (1 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 FFAR1 28/4885S1PR1 1/4885S1PR3 3/4885

“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.