SCHEMBL15980945

SCHEMBL15980945

CC(=O)C(c1ccccc1)C1CCCCN1C(=O)OCOC(=O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL14660563 0.91
SCHEMBL15980949 0.90 KMT2A (0.42) ALDH1A1POLBL3MBTL1
SCHEMBL15980951 0.85 SERPINE1 (0.39) L3MBTL1
SCHEMBL15980980 0.84 STAT6 (0.40)
SCHEMBL14660752 0.82
SCHEMBL15980946 0.80 SLC6A2 (0.44)
SCHEMBL15980947 0.80 SLC6A2 (0.44)
SCHEMBL15980948 0.80 SLC6A2 (0.40)
SCHEMBL15980950 0.78 CHRM3 (0.42)
SCHEMBL18560534 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 CCR5 4361/4885ALDH1A1 97/4885POLB 1055/4885
US-20170049765-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT CCR5 4438/4885ALDH1A1 103/4885POLB 1418/4885
US-20150266911-A1 Methylphenidate-Prodrugs, Processes of Making and Using the Same COMT, TPMT, PNMT CCR5 4438/4885ALDH1A1 103/4885POLB 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.