SCHEMBL949768

SCHEMBL949768

CCCC(CCC)COc1cccc(CCCNCCC(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
KCNH2 Q12809 4/20 0.39
POLB P06746 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
SCHEMBL949447 0.94 CYP2D6 (0.42) CYP2D6KCNH2
SCHEMBL946848 0.90 KDM4E (0.40) CYP2D6KDM4EALDH1A1
SCHEMBL946012 0.89 S1PR1 (0.43) ALDH1A1
SCHEMBL947263 0.89 KCNH2 (0.41) CYP2D6MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL947999 0.88 CYP2D6 (0.54) CYP2D6KDM4EALDH1A1GAAKCNH2
Trifluoroacetic Acid SCHEMBL949767 0.87 S1PR1 (0.47) CYP2D6KDM4EALDH1A1GAAPPARG
SCHEMBL949645 0.87 CYP2D6 (0.53) CYP2D6KDM4EALDH1A1GAAPPARG
SCHEMBL947364 0.86 CYP2D6 (0.53) CYP2D6KDM4EALDH1A1GAAPPARG
SCHEMBL946856 0.86 CYP2D6 (0.53) CYP2D6KDM4EALDH1A1GAAPPARG
SCHEMBL3535891 0.86 CYP2D6 (0.53) CYP2D6KDM4EALDH1A1GAAPPARG

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 7 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
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 1819/4885MTNR1A 170/4885MTNR1B 221/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 CYP2D6 594/4885MTNR1A 186/4885MTNR1B 283/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 CYP2D6 594/4885MTNR1A 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.