SCHEMBL2380258

SCHEMBL2380258

CCCC(=O)OCCOCCN1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
CHRM1 P11229 2/20 0.58
LMNA P02545 1/20 0.58
CHRM2 P08172 1/20 0.58
CHRM4 P08173 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
CHRM5 P08912 1/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
CHRM3 P20309 1/20 0.58
DRD1 P21728 1/20 0.58
DRD4 P21917 1/20 0.58
HRH2 P25021 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR7 P34969 1/20 0.58
ADRA1A P35348 1/20 0.58

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
SCHEMBL2381684 0.95 DRD2 (0.56) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL2379476 0.94 DRD2 (0.55) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL2381465 0.92 DRD2 (0.69) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL2380237 0.90 CHRM1 (0.62) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL2369600 0.86 DRD2 (0.67) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL20959758 0.86 CHRM1 (0.66) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL2159505 0.85 CHRM1 (0.56) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL2159671 0.85 CHRM1 (0.56) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL12395969 0.85 CHRM1 (0.56) DRD2CHRM1LMNACHRM2CHRM4
SCHEMBL19161081 0.85 DRD2 (0.53) DRD2CHRM1LMNACHRM2CHRM4

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 14 patents. 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
US-9889198-B2 Fatty acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2018-02-13 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-20170246301-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2017-08-31 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-20170042906-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME ALTER DOMUS (US) LLC 2017-02-16 US disclosed
US-9511149-B2 Fatty acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2016-12-06 US disclosed
US-20150044261-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2015-02-12 US disclosed
US-8900604-B2 Fatty acid conjugates of quetiapine, process for making and using the same KEMPHARM, INC. (US) 2014-12-02 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
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

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-20170246301-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885CHRM1 1291/4885LMNA 1944/4885
US-20150044261-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885CHRM1 1291/4885LMNA 1944/4885
US-20170042906-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885CHRM1 1291/4885LMNA 1944/4885
US-20130045247-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885CHRM1 1291/4885LMNA 1944/4885
US-20130158007-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885CHRM1 1291/4885LMNA 1944/4885
US-20110223207-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885CHRM1 1291/4885LMNA 1944/4885
US-20170247368-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885CHRM1 1291/4885LMNA 1944/4885

“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.