SCHEMBL2159783

SCHEMBL2159783

CC(C)[C@@H](N)C(=O)N1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
HRH4 Q9H3N8 1/20 0.50
CHRM1 P11229 3/20 0.49
DRD3 P35462 3/20 0.49
LMNA P02545 2/20 0.49
CHRM2 P08172 2/20 0.49
HTR1A P08908 2/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CHRM3 P20309 2/20 0.49
DRD1 P21728 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
ADRA1A P35348 2/20 0.49
HRH1 P35367 2/20 0.49
OPRM1 P35372 2/20 0.49
HTR2B P41595 2/20 0.49
KCNH2 Q12809 2/20 0.49
DRD4 P21917 2/20 0.49

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
SCHEMBL2159819 1.00 DRD2 (0.54) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL2159782 1.00 DRD2 (0.54) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL12395973 1.00 DRD2 (0.54) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL2159818 1.00 DRD2 (0.54) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL12395971 0.90 HRH4 (0.45) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL2158842 0.90 HRH4 (0.45) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL2158837 0.90 HRH4 (0.45) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL2159635 0.90 HRH4 (0.45) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL2159639 0.90 HRH4 (0.45) DRD2HRH4CHRM1DRD3LMNA
SCHEMBL3468597 0.89 DRD2 (0.58) DRD2HRH4CHRM1DRD3LMNA

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 11 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-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2017-08-31 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-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
EP-2519101-B1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM INC (US) 2015-08-19 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 DRD2 159/4885HRH4 945/4885CHRM1 800/4885
US-20170209586-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, AADAT, SLC1A5 DRD2 224/4885HRH4 1021/4885CHRM1 788/4885
US-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 DRD2 159/4885HRH4 945/4885CHRM1 800/4885
US-20110183963-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 DRD2 176/4885HRH4 1090/4885CHRM1 958/4885
US-20120276168-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME SLC1A5, QPCT, SLC6A15 DRD2 152/4885HRH4 1146/4885CHRM1 1306/4885
US-20140287050-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, SLC1A5, SLC1A2 DRD2 176/4885HRH4 1090/4885CHRM1 958/4885
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same QPCT, SLC1A5, SLC1A2 DRD2 159/4885HRH4 945/4885CHRM1 800/4885

“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.