SCHEMBL8982103

SCHEMBL8982103

COc1cc2c(cc1OC)CN(CCCCNS(=O)(=O)c1cccc([N+](=O)O)c1)CC2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.53
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
ABCB1 P08183 1/20 0.48
DRD3 P35462 2/20 0.48
DRD4 P21917 1/20 0.48

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
SCHEMBL4223322 0.91 ALDH1A1 (0.58) HTR7TMEM97SIGMAR1ABCB1
SCHEMBL8982078 0.88 HTR7 (0.61) HTR7
SCHEMBL8982117 0.87 SIGMAR1 (0.55) HTR7TMEM97SIGMAR1
SCHEMBL8982140 0.86 SIGMAR1 (0.59) HTR7TMEM97SIGMAR1ABCB1DRD3
SCHEMBL8982250 0.86 DRD4 (0.58) HTR7ABCB1DRD3DRD4
SCHEMBL8981452 0.86 HTR7 (0.58) HTR7TMEM97SIGMAR1ABCB1DRD3
SCHEMBL8982183 0.86 HTR7 (0.54) HTR7SIGMAR1DRD3DRD4
SCHEMBL8983429 0.86 HTR7 (0.72) HTR7TMEM97SIGMAR1ABCB1DRD3
SCHEMBL8982553 0.85 HTR7 (0.57) HTR7TMEM97SIGMAR1ABCB1DRD3
Hydrochloric Acid SCHEMBL4228196 0.85 DRD4 (0.57) HTR7ABCB1DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188115-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-05-29 US disclosed
US-20090163542-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-25 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211585-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 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-20090163542-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885TMEM97 100/4885SIGMAR1 140/4885

“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.