SCHEMBL2159879

SCHEMBL2159879

Oc1ccc2c(c1)Sc1ccccc1C(N1CCNCC1)=N2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.74
HRH4 Q9H3N8 2/20 0.46
CHRM1 P11229 5/20 0.46
CHRM2 P08172 4/20 0.46
CHRM3 P20309 4/20 0.46
DRD1 P21728 4/20 0.46
KCNH2 Q12809 4/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
ADRA1A P35348 3/20 0.46
HRH1 P35367 3/20 0.46
HTR2B P41595 3/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
HTR1A P08908 2/20 0.46

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
SCHEMBL8311 0.86 DRD2 (1.00) DRD2HRH4CHRM1CHRM2CHRM3
SCHEMBL29368614 0.86 DRD2 (1.00) DRD2HRH4CHRM1CHRM2CHRM3
SCHEMBL19294134 0.85 DRD2 (0.53) DRD2HRH4CHRM1CHRM2CHRM3
Sulfuric Acid SCHEMBL4143302 0.85 DRD2 (0.87) DRD2HRH4CHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL8507 0.84 DRD2 (0.97) DRD2HRH4CHRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL1943859 0.84 DRD2 (0.97) DRD2HRH4CHRM1CHRM2CHRM3
SCHEMBL4146089 0.83 DRD2 (0.83) DRD2HRH4CHRM1CHRM2CHRM3
Phosphoric Acid SCHEMBL4151583 0.81 DRD2 (0.85) DRD2HRH4CHRM1CHRM2CHRM3
SCHEMBL2381014 0.81 KDM4E (0.52) DRD2HRH4CHRM1CHRM2CHRM3
SCHEMBL3411002 0.79 DRD2 (0.67) DRD2HRH4CHRM1CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026899-A1 Metabolite ASTRAZENECA AB (SE) 2005-02-03 US claimed
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2018-07-03 US disclosed
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2018-07-03 US 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-20170247368-A1 FATTY 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-20170246308-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-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-20120276168-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2012-11-01 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-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
US-20110223207-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2011-09-15 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
US-20110183963-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2011-07-28 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
WO-2011082076-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2011-07-07 WO disclosed
US-20050026899-A1 Metabolite ASTRAZENECA AB (SE) 2005-02-03 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 (8 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-20050026899-A1 Metabolite BDNF, SLC18A2, SLC6A2 DRD2 35/4885HRH4 507/4885CHRM1 261/4885
US-20110223207-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885CHRM1 1291/4885
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-20170247368-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885CHRM1 1291/4885
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.