SCHEMBL8981933

SCHEMBL8981933

O=[N+](O)c1ccc2c(c1)CN(CCCCCNS(=O)(=O)c1cc(F)c(F)cc1Cl)CC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.46
HTR6 P50406 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
CCR1 P32246 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL8982049 0.99 HTR7 (0.46) HTR7HTR6SIGMAR1CCR1GRIN1
SCHEMBL4227487 0.91 GRIN1 (0.47) HTR7HTR6SIGMAR1GRIN1GRIN2B
SCHEMBL8982498 0.91 HTR7 (0.48) HTR7HTR6SIGMAR1GRIN1GRIN2B
SCHEMBL4228097 0.90 GRIN1 (0.48) HTR7HTR6SIGMAR1GRIN1GRIN2B
SCHEMBL8982558 0.88 CCR1 (0.50) HTR7HTR6SIGMAR1CCR1
SCHEMBL8982000 0.87 HTR7 (0.46) HTR7HTR6SIGMAR1
SCHEMBL8982022 0.87 HTR7 (0.46) HTR7HTR6SIGMAR1CCR1GRIN1
SCHEMBL8982084 0.86 HTR7 (0.46) HTR7HTR6SIGMAR1
SCHEMBL8982237 0.86 HTR7 (0.52) HTR7HTR6CCR1
SCHEMBL8982002 0.86 HTR7 (0.47) HTR7HTR6SIGMAR1

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 HTR7 1/4885HTR6 7/4885SIGMAR1 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.