SCHEMBL5406986

SCHEMBL5406986

O=S(=O)(NCCCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1

nearest known ligand 0.98

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 14/20 0.98
HTR6 P50406 4/20 0.75
POLB P06746 1/20 0.61
HTR1A P08908 2/20 0.58
ADRA2A P08913 2/20 0.58
DRD2 P14416 2/20 0.58

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
SCHEMBL8982893 1.00 HTR7 (0.98) HTR7HTR6POLBHTR1AADRA2A
SCHEMBL8979740 0.99 HTR7 (1.00) HTR7HTR6POLBHTR1AADRA2A
SCHEMBL10035548 0.96 HTR7 (1.00) HTR7HTR6POLBHTR1A
Oxalic Acid SCHEMBL5406547 0.95 HTR7 (0.88) HTR7HTR6POLBHTR1AADRA2A
Hydrochloric Acid SCHEMBL2140989 0.94 HTR7 (0.98) HTR7HTR6POLBHTR1A
SCHEMBL8980718 0.86 HTR7 (0.74) HTR7HTR6POLB
SCHEMBL8980849 0.86 HTR7 (0.74) HTR7HTR6POLB
SCHEMBL8980016 0.86 HTR7 (0.97) HTR7HTR6HTR1A
SCHEMBL8983386 0.86 HTR7 (0.76) HTR7HTR6POLBHTR1AADRA2A
Hydrochloric Acid SCHEMBL5408362 0.85 HTR7 (0.72) HTR7HTR6POLB

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 7 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-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-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
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 7/4885POLB 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.