SCHEMBL949510

SCHEMBL949510

O=C(O)C1CC2CCC(C1)N2CC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.57
S1PR3 Q99500 10/20 0.57
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
S1PR5 Q9H228 1/20 0.39
FFAR1 O14842 1/20 0.38
ALOX5 P09917 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
SCHEMBL16290137 0.85 S1PR1 (0.67) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL948299 0.84 S1PR1 (0.66) S1PR1S1PR3S1PR5
SCHEMBL449289 0.76 S1PR1 (0.58) S1PR1S1PR3MAOAMAOB
SCHEMBL676593 0.75 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL10088895 0.73 S1PR1 (1.00) S1PR1S1PR3S1PR5FFAR1
Hydrochloric Acid SCHEMBL946275 0.72 S1PR1 (0.98) S1PR1S1PR3S1PR5FFAR1
SCHEMBL28760962 0.71 S1PR1 (0.69) S1PR1S1PR3MAOAMAOBS1PR5
SCHEMBL947798 0.71 S1PR1 (0.49) S1PR1S1PR3MAOAMAOBS1PR5
Hydrochloric Acid SCHEMBL947511 0.70 S1PR1 (0.68) S1PR1S1PR3MAOAMAOBS1PR5
Hydrochloric Acid SCHEMBL947292 0.70 S1PR1 (0.71) S1PR1S1PR3MAOAMAOBS1PR5

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 6 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

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 S1PR1 1/4885S1PR3 3/4885MAOA 3696/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885MAOA 3402/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885MAOA 3402/4885

“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.