SCHEMBL8982117

SCHEMBL8982117

COc1ccc(S(=O)(=O)NCCCCN2CCc3ccc([N+](=O)O)cc3C2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
HTR7 P34969 5/20 0.52
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HTR6 P50406 1/20 0.47
TMEM97 Q5BJF2 2/20 0.47

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
Hydrochloric Acid SCHEMBL4228567 0.91 SIGMAR1 (0.61) SIGMAR1HTR7POLBLMNAMAPK1
SCHEMBL8982183 0.87 HTR7 (0.54) SIGMAR1HTR7HTR6
SCHEMBL8982167 0.87 HTR7 (0.59) SIGMAR1HTR7POLBLMNAMAPK1
SCHEMBL8982103 0.87 HTR7 (0.53) SIGMAR1HTR7TMEM97
SCHEMBL8982064 0.86 HTR7 (0.57) SIGMAR1HTR7HTR6
SCHEMBL8982282 0.86 HTR7 (0.57) SIGMAR1HTR7HTR6
SCHEMBL8982366 0.86 SIGMAR1 (0.51) SIGMAR1HTR7
Hydrochloric Acid SCHEMBL4230226 0.86 HTR7 (0.58) SIGMAR1HTR7POLBLMNAMAPK1
SCHEMBL8982526 0.85 SMN1; SMN2 (0.51) SIGMAR1HTR7TMEM97
SCHEMBL8982078 0.85 HTR7 (0.61) HTR7HTR6

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-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

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 SIGMAR1 140/4885HTR7 1/4885POLB 3629/4885

“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.