Quetiapine

Quetiapine

SCHEMBL2155179

Cl.Cl.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DRD2HTR2AHTR2C

The experimentally established mechanism targets of Quetiapine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 known ✓ P14416 4/20 0.98
HTR2A known ✓ P28223 2/20 0.98
HTR2C known ✓ P28335 2/20 0.98
ADRA2A P08913 3/20 0.98
LMNA P02545 2/20 0.98
CHRM2 P08172 2/20 0.98
HTR1A P08908 2/20 0.98
CHRM1 P11229 2/20 0.98
ADRA2B P18089 2/20 0.98
ADRA2C P18825 2/20 0.98
CHRM3 P20309 2/20 0.98
DRD1 P21728 2/20 0.98
ADRA1A P35348 2/20 0.98
HRH1 P35367 2/20 0.98
OPRM1 P35372 2/20 0.98
DRD3 P35462 2/20 0.98
HTR2B P41595 2/20 0.98
KCNH2 Q12809 2/20 0.98
CHRM4 P08173 1/20 0.98
CYP3A4 P08684 1/20 0.98

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
Quetiapine SCHEMBL396057 1.00 DRD2 (0.98) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL29360153 0.99 DRD2 (1.00) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL7932 0.99 DRD2 (1.00) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL4283801 0.99 DRD2 (1.00) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL4638768 0.99 DRD2 (1.00) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL392703 0.98 DRD2 (0.98) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL1649418 0.98 DRD2 (0.98) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL27907990 0.97 DRD2 (0.96) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL27866344 0.97 DRD2 (0.96) DRD2ADRA2ALMNACHRM2HTR1A
Quetiapine SCHEMBL2537668 0.96 DRD2 (0.94) DRD2ADRA2ALMNACHRM2HTR1A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476218-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2019-05-01 EP disclosed
EP-2544536-B1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM INC (US) 2018-12-12 EP disclosed
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2018-07-03 US disclosed
CN-107714703-A The amino acid conjugate of Quetiapine, its preparation and application 凯姆制药公司 2018-02-23 CN disclosed
US-9890150-B2 Fatty acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2018-02-13 US disclosed
US-9889198-B2 Fatty acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2018-02-13 US disclosed
CN-104586859-B The amino acid conjugate of Quetiapine, its preparation and application 凯姆制药公司 2017-12-05 CN 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-20170246301-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2017-08-31 US disclosed
US-20130158007-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same KEMPHARM, INC. (US) 2013-06-20 US disclosed
US-20130045247-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM INC. 2013-02-21 US disclosed
EP-2544536-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2013-01-16 EP disclosed
CN-102781236-A Amino acid conjugates of quetiapine, methods of making and using the same KEMPHARM INC 2012-11-14 CN disclosed
EP-2519101-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME Kempharm, Inc. (US) 2012-11-07 EP 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-20110223207-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2011-09-15 US disclosed
WO-2011112657-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2011-09-15 WO 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
WO-2011082076-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2011-07-07 WO 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 (9 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-20170246301-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885HTR2A 291/4885HTR2C 542/4885
US-20130045247-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885HTR2A 291/4885HTR2C 542/4885
US-20130158007-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885HTR2A 291/4885HTR2C 542/4885
US-20170246307-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 DRD2 159/4885HTR2A 197/4885HTR2C 379/4885
US-20110223207-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885HTR2A 291/4885HTR2C 542/4885
US-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 DRD2 159/4885HTR2A 197/4885HTR2C 379/4885
US-20110183963-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 DRD2 176/4885HTR2A 230/4885HTR2C 402/4885
US-20120276168-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME SLC1A5, QPCT, SLC6A15 DRD2 152/4885HTR2A 210/4885HTR2C 357/4885
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same QPCT, SLC1A5, SLC1A2 DRD2 159/4885HTR2A 197/4885HTR2C 379/4885

“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.