SCHEMBL2159125

SCHEMBL2159125

N[C@@H](Cc1ccccc1)C(=O)N1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.45
AKT2 P31751 2/20 0.45
AKT3 Q9Y243 2/20 0.45
CYP3A4 P08684 2/20 0.44
ROCK2 O75116 1/20 0.44
CNR1 P21554 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
DRD2 P14416 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL2158626 1.00 AKT1 (0.45) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL2159120 1.00 AKT1 (0.45) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL12395979 1.00 AKT1 (0.45) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL2158631 1.00 AKT1 (0.45) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL2158370 0.91 DRD2 (0.51) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL2158854 0.91 DRD2 (0.51) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL2158371 0.91 DRD2 (0.51) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL2158859 0.91 DRD2 (0.51) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL12395976 0.91 DRD2 (0.51) AKT1AKT2AKT3CYP3A4ROCK2
SCHEMBL12464209 0.86 HRH4 (0.47) CYP3A4CNR1KDM4EMEN1MAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2018-07-03 US disclosed
US-20170246307-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2017-08-31 US disclosed
US-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2017-08-31 US disclosed
US-20170209586-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2017-07-27 US disclosed
US-9597403-B2 Amino acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2017-03-21 US disclosed
EP-2987789-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2016-02-24 EP disclosed
US-20140287050-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2014-09-25 US disclosed
US-8715699-B2 Amino acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2014-05-06 US disclosed
US-20120276168-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2012-11-01 US disclosed
US-20110183963-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2011-07-28 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 (7 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-20170246307-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 AKT1 2923/4885AKT2 3238/4885AKT3 2832/4885
US-20170209586-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, AADAT, SLC1A5 AKT1 2815/4885AKT2 3299/4885AKT3 2929/4885
US-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 AKT1 2923/4885AKT2 3238/4885AKT3 2832/4885
US-20110183963-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 AKT1 2925/4885AKT2 3206/4885AKT3 2764/4885
US-20120276168-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME SLC1A5, QPCT, SLC6A15 AKT1 3166/4885AKT2 3385/4885AKT3 2940/4885
US-20140287050-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, SLC1A5, SLC1A2 AKT1 2925/4885AKT2 3206/4885AKT3 2764/4885
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same QPCT, SLC1A5, SLC1A2 AKT1 2923/4885AKT2 3238/4885AKT3 2832/4885

“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.