SCHEMBL10035564

SCHEMBL10035564

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cc([N+](=O)O)ccc1C)CC2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR7 P34969 1/20 0.47
ABCB1 P08183 3/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8982102 0.97 TMEM97 (0.51) TMEM97SIGMAR1ABCB1DRD3
SCHEMBL2138558 0.91 TMEM97 (0.52) TMEM97SIGMAR1HTR7ABCB1ABCG2
SCHEMBL4224250 0.89 TMEM97 (0.53) TMEM97SIGMAR1ABCB1ABCG2
Hydrochloric Acid SCHEMBL4223051 0.88 TMEM97 (0.52) TMEM97SIGMAR1ABCB1ABCG2
SCHEMBL8982080 0.87 HTR7 (0.49) SIGMAR1HTR7DRD2DRD3
SCHEMBL2138399 0.85 HTR7 (0.52) TMEM97SIGMAR1HTR7ABCB1DRD3
SCHEMBL13878296 0.85 DRD2 (0.50) TMEM97SIGMAR1HTR7ABCB1DRD2
SCHEMBL8982149 0.83 DRD3 (0.54) TMEM97SIGMAR1HTR7ABCB1DRD3
SCHEMBL8982103 0.82 HTR7 (0.53) TMEM97SIGMAR1HTR7ABCB1DRD3
SCHEMBL2137747 0.82 SIGMAR1 (0.58) TMEM97SIGMAR1HTR7ABCB1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 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-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A TMEM97 106/4885SIGMAR1 189/4885HTR7 1/4885

“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.