SCHEMBL947263

SCHEMBL947263

CC(C)COc1cccc(CCCNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
CYP2D6 P10635 3/20 0.39
CETP P11597 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL947974 0.94 KCNH2 (0.45) KCNH2KDM4ECYP2D6CETP
SCHEMBL946940 0.90 KCNH2 (0.44) KCNH2KDM4EALDH1A1GAACYP2D6
SCHEMBL946937 0.89 KDM4E (0.42) KDM4EALDH1A1CYP2D6CETP
SCHEMBL949768 0.89 CYP2D6 (0.41) KCNH2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL951205 0.88 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL947999 0.87 CYP2D6 (0.54) KCNH2KDM4EALDH1A1GAACYP2D6
SCHEMBL949645 0.86 CYP2D6 (0.53) KCNH2KDM4EALDH1A1GAACYP2D6
SCHEMBL950038 0.86 BCHE (0.55) CYP2D6S1PR1S1PR3
SCHEMBL949627 0.86 S1PR1 (0.56) KCNH2KDM4EALDH1A1GAAS1PR1
SCHEMBL948866 0.86 DRD2 (0.53) KCNH2KDM4EALDH1A1GAAS1PR1

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
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 KCNH2 1238/4885MTNR1A 170/4885MTNR1B 221/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 KCNH2 1903/4885MTNR1A 186/4885MTNR1B 283/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 KCNH2 1903/4885MTNR1A 186/4885MTNR1B 283/4885

“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.