SCHEMBL4402045

SCHEMBL4402045

CC(C)[C@H]1NC(=O)[C@H](CS)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
HDAC1 Q13547 6/20 0.39
HDAC4 P56524 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
MLNR O43193 6/20 0.39
HDAC3 O15379 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
NCOR2 Q9Y618 2/20 0.38
CTSD P07339 1/20 0.37
NCOR1 O75376 3/20 0.34
HDAC5 Q9UQL6 2/20 0.34
PRKCD Q05655 1/20 0.33

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
SCHEMBL2672144 1.00 HRH3 (0.40) HRH3HDAC1HDAC4HDAC2HDAC6
SCHEMBL4408365 0.84 KEAP1 (0.33) HRH3HDAC1HDAC4HDAC2HDAC6
SCHEMBL14952761 0.84 KEAP1 (0.33) HRH3HDAC1HDAC4HDAC2HDAC6
SCHEMBL17966438 0.83 HRH3 (0.40) HRH3HDAC1HDAC4HDAC2HDAC6
SCHEMBL13784332 0.83 HRH3 (0.40) HRH3HDAC1HDAC4HDAC2HDAC6
SCHEMBL15762029 0.83 HRH3 (0.40) HRH3HDAC1HDAC4HDAC2HDAC6
SCHEMBL4402202 0.82 CTSD (0.37) HRH3HDAC1HDAC4HDAC2HDAC6
SCHEMBL13637393 0.82 KDM4E (0.39) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL13290575 0.82 ABCB1 (0.36) HRH3HDAC1HDAC4MLNRCTSD
SCHEMBL18751776 0.82 ABCB1 (0.36) HRH3HDAC1HDAC4MLNRCTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2015-06-25 US disclosed
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2015-06-25 US disclosed
US-8962692-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-02-24 US disclosed
US-8962692-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2015-02-24 US disclosed
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS UWM RESEARCH FOUNDATION, INC. (US) 2012-08-30 US disclosed
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS UWM RESEARCH FOUNDATION, INC. (US) 2012-08-30 US disclosed
US-8173809-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2012-05-08 US disclosed
US-8173809-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2012-05-08 US disclosed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
US-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR MEDICAL UNIVERSITY OF SOUTH CAROLINA 2012-02-23 US disclosed
US-20090281109-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY 2009-11-12 US disclosed
US-20090281109-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY 2009-11-12 US disclosed
WO-2009100431-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS MARQUETTE UNIVERSITY (US) 2009-08-13 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 (4 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-20120046232-A1 COMPOSITIONS AND METHODS FOR REDUCING RELAPSE OF ADDICTIVE BEHAVIOR GRM6, GRM5, GRM7 HRH3 921/4885HDAC1 415/4885HDAC4 1266/4885
US-20090281109-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS HRH3 1934/4885HDAC1 1754/4885HDAC4 1547/4885
US-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS HRH3 1934/4885HDAC1 1754/4885HDAC4 1547/4885
US-20150175559-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS SLC7A11, CBS, CTH HRH3 2717/4885HDAC1 1434/4885HDAC4 1749/4885

“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.