SCHEMBL15980962

SCHEMBL15980962

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 6/20 0.42
SRC P12931 5/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL14671621 0.90
SCHEMBL15980960 0.87 SPHK2 (0.41) GAAHPGD
SCHEMBL15980980 0.85 STAT6 (0.40) STAT6SRC
SCHEMBL15980959 0.83 GAA (0.48) GAAHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL15980971 0.82 SPHK2 (0.51) ALDH1A1
SCHEMBL15980963 0.82 GAA (0.40) GAAHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL19113016 0.80 POLB (0.39) GAAHPGDALDH1A1
SCHEMBL15984898 0.78
SCHEMBL17109642 0.77 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL14671623 0.77 L3MBTL1 (0.45)

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 STAT6 2904/4885SRC 2392/4885GAA 268/4885
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT STAT6 3231/4885SRC 2288/4885GAA 345/4885
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT STAT6 3231/4885SRC 2288/4885GAA 345/4885

“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.