SCHEMBL2158375

SCHEMBL2158375

N[C@H](Cc1ccccc1)C(=O)OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
CHRM1 P11229 2/20 0.55
DRD2 P14416 2/20 0.55
LMNA P02545 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
CHRM3 P20309 1/20 0.55
DRD1 P21728 1/20 0.55
DRD4 P21917 1/20 0.55
HRH2 P25021 1/20 0.55
ADRA1D P25100 1/20 0.55

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
SCHEMBL12395975 1.00 KDM4E (0.55) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL2158980 1.00 KDM4E (0.55) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL2158595 0.92 DRD2 (0.65) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL2158561 0.92 DRD2 (0.65) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL12395977 0.92 DRD2 (0.65) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL19161163 0.88 ADRA2A (0.53) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL2159505 0.88 CHRM1 (0.56) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL2159671 0.88 CHRM1 (0.56) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL12395969 0.88 CHRM1 (0.56) KDM4EMEN1MAPK1KMT2ACHRM1
SCHEMBL19161081 0.87 DRD2 (0.53) KDM4EMEN1MAPK1KMT2ACHRM1

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-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 KDM4E 1507/4885MEN1 2703/4885MAPK1 3472/4885
US-20170209586-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, AADAT, SLC1A5 KDM4E 365/4885MEN1 2834/4885MAPK1 3613/4885
US-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 KDM4E 1507/4885MEN1 2703/4885MAPK1 3472/4885
US-20110183963-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 KDM4E 1484/4885MEN1 2909/4885MAPK1 3531/4885
US-20120276168-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME SLC1A5, QPCT, SLC6A15 KDM4E 1677/4885MEN1 2969/4885MAPK1 3627/4885
US-20140287050-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, SLC1A5, SLC1A2 KDM4E 1484/4885MEN1 2909/4885MAPK1 3531/4885
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same QPCT, SLC1A5, SLC1A2 KDM4E 1507/4885MEN1 2703/4885MAPK1 3472/4885

“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.