SCHEMBL15980941

SCHEMBL15980941

CC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.44
ACE2 Q9BYF1 3/20 0.43
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
FKBP1A P62942 1/20 0.40

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
SCHEMBL14660807 0.91
SCHEMBL15980948 0.87 SLC6A2 (0.40) ACE2
SCHEMBL15980960 0.82 SPHK2 (0.41)
SCHEMBL15980947 0.79 SLC6A2 (0.44)
SCHEMBL15980946 0.79 SLC6A2 (0.44)
SCHEMBL15984901 0.79
SCHEMBL14671688 0.78
SCHEMBL15980980 0.78 STAT6 (0.40)
SCHEMBL15980945 0.76 CCR5 (0.39)
SCHEMBL15980950 0.76 CHRM3 (0.42)

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 PREP 1571/4885ACE2 2313/4885TMEM97 728/4885
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT PREP 1043/4885ACE2 2206/4885TMEM97 1038/4885
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT PREP 1043/4885ACE2 2206/4885TMEM97 1038/4885

“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.