SCHEMBL949916

SCHEMBL949916

CCCCCCOc1cccc(CCNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.59
KCNH2 Q12809 7/20 0.57
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
CACNA1B Q00975 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GGPS1 O95749 1/20 0.47

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
SCHEMBL947012 1.00 CYP2D6 (0.59) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL946346 1.00 CYP2D6 (0.59) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL948824 1.00 CYP2D6 (0.59) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL947791 1.00 CYP2D6 (0.59) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL948323 0.99 CYP2D6 (0.59) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL947967 0.96 CYP2D6 (0.58) CYP2D6KCNH2CACNA1BKDM4EALDH1A1
SCHEMBL947364 0.95 CYP2D6 (0.53) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL3535891 0.95 CYP2D6 (0.53) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL946856 0.95 CYP2D6 (0.53) CYP2D6KCNH2CNR1CNR2CACNA1B
SCHEMBL946997 0.95 CYP2D6 (0.53) CYP2D6KCNH2CNR1CNR2CACNA1B

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 8 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
CN-101407471-A Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2009-04-15 CN 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 1819/4885KCNH2 1238/4885CNR1 6/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYP2D6 594/4885KCNH2 1903/4885CNR1 13/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYP2D6 594/4885KCNH2 1903/4885CNR1 13/4885

“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.