SCHEMBL15980960

SCHEMBL15980960

CC(=O)C(c1ccccc1)C1CCCCN1C(=O)c1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
POLB P06746 1/20 0.39
CHRM4 P08173 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 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
SCHEMBL15984898 0.91
SCHEMBL15980971 0.88 SPHK2 (0.51) SPHK2SPHK1CHRM4CHRNB2CHRNA5
SCHEMBL15980962 0.87 STAT6 (0.42) GAAHPGD
SCHEMBL15980941 0.82 PREP (0.44)
SCHEMBL19113016 0.82 POLB (0.39) POLBGAAHPGD
SCHEMBL15980959 0.81 GAA (0.48) GAAHPGD
SCHEMBL14671623 0.80 L3MBTL1 (0.45)
SCHEMBL15980963 0.80 GAA (0.40) POLBGAAHPGD
SCHEMBL18542731 0.79
SCHEMBL14671621 0.78

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
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2017-02-23 US disclosed
US-9453037-B2 Methylphenidate-prodrugs, processes of making and using the same KEMPHARM, INC (US) 2016-09-27 US disclosed
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMMAVE THERAPEUTICS SA (CH) 2015-09-24 US disclosed
US-9079928-B2 Methylphenidate-oxoacid conjugates, processes of making and using the same KEMPHARM, INC. (US) 2015-07-14 US disclosed
US-20140243291-A1 METHYLPHENIDATE-OXOACID CONJUGATES, PROCESSES OF MAKING AND USING THE SAME COMMAVE THERAPEUTICS SA (CH) 2014-08-28 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-20140243291-A1 METHYLPHENIDATE-OXOACID CONJUGATES, PROCESSES OF MAKING AND USING THE SAME COMT, PNMT, SLC6A3 SPHK2 4555/4885SPHK1 4304/4885POLB 1055/4885
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT SPHK2 4200/4885SPHK1 3790/4885POLB 1418/4885
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT SPHK2 4200/4885SPHK1 3790/4885POLB 1418/4885

“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.