SCHEMBL2159671

SCHEMBL2159671

CC(C)[C@H](N)C(=O)OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.56
DRD2 P14416 3/20 0.56
LMNA P02545 2/20 0.56
CHRM2 P08172 2/20 0.56
HTR1A P08908 2/20 0.56
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
CHRM3 P20309 2/20 0.56
DRD1 P21728 2/20 0.56
HTR2A P28223 2/20 0.56
HTR2C P28335 2/20 0.56
ADRA1A P35348 2/20 0.56
HRH1 P35367 2/20 0.56
OPRM1 P35372 2/20 0.56
DRD3 P35462 2/20 0.56
HTR2B P41595 2/20 0.56
KCNH2 Q12809 2/20 0.56
CHRM4 P08173 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL2159505 1.00 CHRM1 (0.56) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL12395969 1.00 CHRM1 (0.56) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL2158366 0.92 DRD2 (0.67) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL2158470 0.92 DRD2 (0.67) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL12395967 0.92 DRD2 (0.67) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL2380237 0.88 CHRM1 (0.62) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL2158980 0.88 KDM4E (0.55) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL2158375 0.88 KDM4E (0.55) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL12395975 0.88 KDM4E (0.55) CHRM1DRD2LMNACHRM2HTR1A
SCHEMBL19161081 0.87 DRD2 (0.53) CHRM1DRD2LMNACHRM2HTR1A

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 9 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-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 (6 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 CHRM1 800/4885DRD2 159/4885LMNA 2684/4885
US-20170209586-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, AADAT, SLC1A5 CHRM1 788/4885DRD2 224/4885LMNA 1914/4885
US-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 CHRM1 800/4885DRD2 159/4885LMNA 2684/4885
US-20110183963-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 CHRM1 958/4885DRD2 176/4885LMNA 2729/4885
US-20140287050-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, SLC1A5, SLC1A2 CHRM1 958/4885DRD2 176/4885LMNA 2729/4885
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same QPCT, SLC1A5, SLC1A2 CHRM1 800/4885DRD2 159/4885LMNA 2684/4885

“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.