SCHEMBL4399705

SCHEMBL4399705

C=C1N[C@H](C(C)C)C(=O)N[C@H]1CSSC[C@@H]1NC(=O)[C@@H](C(C)C)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
MLNR O43193 2/20 0.32

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
SCHEMBL13754183 0.90 HRH3 (0.39) HRH3MLNR
SCHEMBL4402036 0.90 HRH3 (0.39) HRH3MLNR
SCHEMBL4402202 0.78 CTSD (0.37) HRH3MLNR
SCHEMBL12019149 0.78 ITGB3 (0.41) HRH3MLNR
SCHEMBL4399717 0.78 ITGB3 (0.41) HRH3MLNR
SCHEMBL15762025 0.78 ITGB3 (0.41) HRH3MLNR
SCHEMBL16840265 0.78 ITGB3 (0.41) HRH3MLNR
SCHEMBL19696332 0.75 PRKCD (0.31) HRH3
SCHEMBL2672144 0.72 HRH3 (0.40) HRH3MLNR
SCHEMBL17966438 0.72 HRH3 (0.40) HRH3MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8173809-B2 Cysteine and cystine prodrugs to treat schizophrenia and reduce drug cravings MARQUETTE UNIVERSITY (US) 2012-05-08 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 (1 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-20120220596-A1 CYSTEINE AND CYSTINE PRODRUGS TO TREAT SCHIZOPHRENIA AND REDUCE DRUG CRAVINGS CTH, SLC7A11, CBS HRH3 1934/4885MLNR 4277/4885

“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.