SCHEMBL2395744

SCHEMBL2395744

CCCCC(=O)N1CCN(C2=Nc3ccc(O)cc3Sc3ccccc32)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
HRH4 Q9H3N8 1/20 0.43
LMNA P02545 2/20 0.43
CHRM2 P08172 2/20 0.43
HTR1A P08908 2/20 0.43
ADRA2A P08913 2/20 0.43
CHRM1 P11229 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
CHRM3 P20309 2/20 0.43
DRD1 P21728 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
ADRA1A P35348 2/20 0.43
HRH1 P35367 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
HTR2B P41595 2/20 0.43
KCNH2 Q12809 2/20 0.43
CHRM4 P08173 1/20 0.43

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
SCHEMBL2381742 0.96 DRD2 (0.47) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL2380304 0.94 DRD2 (0.45) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL2369873 0.90 DRD2 (0.54) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL2370412 0.86 DRD2 (0.52) DRD2LMNACHRM2HTR1AADRA2A
SCHEMBL2381014 0.85 KDM4E (0.52) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL19161075 0.84 HRH4 (0.41) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL2370824 0.84 DRD2 (0.56) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL12464209 0.80 HRH4 (0.47) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL2381684 0.80 DRD2 (0.56) DRD2HRH4LMNACHRM2HTR1A
SCHEMBL3468838 0.79 DRD2 (0.58) DRD2HRH4LMNACHRM2HTR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170247368-A1 FATTY 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-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
US-20110223207-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same ALTER DOMUS (US) LLC 2011-09-15 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-20170246301-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885LMNA 1944/4885
US-20150044261-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885LMNA 1944/4885
US-20170042906-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885LMNA 1944/4885
US-20130045247-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885LMNA 1944/4885
US-20130158007-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885LMNA 1944/4885
US-20110223207-A1 Fatty Acid Conjugates of Quetiapine, Process for Making and Using the Same FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885LMNA 1944/4885
US-20170247368-A1 FATTY ACID CONJUGATES OF QUETIAPINE, PROCESS FOR MAKING AND USING THE SAME FASN, FADS1, FADS2 DRD2 263/4885HRH4 1705/4885LMNA 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.