SCHEMBL141875

SCHEMBL141875

OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.81
DRD2 P14416 2/20 0.81
LMNA P02545 1/20 0.81
CHRM2 P08172 1/20 0.81
CHRM4 P08173 1/20 0.81
CYP3A4 P08684 1/20 0.81
HTR1A P08908 1/20 0.81
CHRM5 P08912 1/20 0.81
CHRM1 P11229 1/20 0.81
ADRA2B P18089 1/20 0.81
ADRA2C P18825 1/20 0.81
CHRM3 P20309 1/20 0.81
DRD1 P21728 1/20 0.81
DRD4 P21917 1/20 0.81
HRH2 P25021 1/20 0.81
ADRA1D P25100 1/20 0.81
HTR2A P28223 1/20 0.81
HTR2C P28335 1/20 0.81
HTR7 P34969 1/20 0.81
ADRA1A P35348 1/20 0.81

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
SCHEMBL29549271 1.00 ADRA2A (0.81) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL12260186 0.92 DRD2 (0.81) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL17509819 0.91 DRD2 (0.67) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL20959758 0.90 CHRM1 (0.66) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL29360153 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL4283801 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL4638768 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL7932 0.90 DRD2 (1.00) ADRA2ADRD2LMNACHRM2CHRM4
SCHEMBL2615342 0.89 DRD2 (0.80) ADRA2ADRD2LMNACHRM2CHRM4
Quetiapine SCHEMBL392703 0.89 DRD2 (0.98) ADRA2ADRD2LMNACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052648-A1 ORAL MODIFIED-RELEASE FORMULATIONS CONTAINING THIAZEPINES AVRAMOFF AVI 2011-03-03 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-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-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INCORPORATED 2005-09-01 US disclosed
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders COMBINATORX, INCORPORATED 2005-08-25 US disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
WO-2005048927-A2 METHODS AND REAGENTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-06-02 WO disclosed
US-20050112199-A1 Therapeutic regimens for administering drug combinations COMBINATORX, INCORPORATED 2005-05-26 US disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO disclosed
WO-2005030132-A2 THERAPEUTIC REGIMENS FOR ADMINISTERING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2005-04-07 WO disclosed
WO-2005027839-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 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-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders IL5, TNF, LTC4S ADRA2A 2053/4885DRD2 3820/4885LMNA 2007/4885
US-20170246307-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 ADRA2A 912/4885DRD2 159/4885LMNA 2684/4885
US-20170209586-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, AADAT, SLC1A5 ADRA2A 1254/4885DRD2 224/4885LMNA 1914/4885
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 ADRA2A 831/4885DRD2 2151/4885LMNA 3952/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 ADRA2A 2769/4885DRD2 3053/4885LMNA 4062/4885
US-20170246308-A1 Amino Acid Conjugates of Quetiapine, Process for Making and Using the Same QPCT, SLC1A5, SLC1A2 ADRA2A 912/4885DRD2 159/4885LMNA 2684/4885
US-20140287050-A1 AMINO ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME QPCT, SLC1A5, SLC1A2 ADRA2A 1076/4885DRD2 176/4885LMNA 2729/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP ADRA2A 4163/4885DRD2 4506/4885LMNA 3888/4885
US-10010615-B2 Amino acid conjugates of quetiapine, process for making and using the same QPCT, SLC1A5, SLC1A2 ADRA2A 912/4885DRD2 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.