SCHEMBL8980773

SCHEMBL8980773

O=S(=O)(NCCCCCN1CCc2ccccc2C1)c1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.80
HTR6 P50406 2/20 0.63
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54

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 SCHEMBL4219495 0.99 HTR7 (0.79) HTR7HTR6KMT2AMEN1L3MBTL1
SCHEMBL8980638 0.99 HTR7 (0.82) HTR7HTR6KMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL4219515 0.98 HTR7 (0.80) HTR7HTR6KMT2AMEN1L3MBTL1
SCHEMBL8980016 0.91 HTR7 (0.97) HTR7HTR6HTR1A
SCHEMBL8980733 0.90 HTR7 (0.75) HTR7HTR6
SCHEMBL8980893 0.90 HTR7 (0.75) HTR7HTR6
Hydrochloric Acid SCHEMBL4228770 0.90 HTR7 (0.95) HTR7HTR6HTR1A
SCHEMBL8979759 0.89 HTR7 (1.00) HTR7HTR6HTR1A
SCHEMBL8981262 0.89 HTR7 (0.77) HTR7HTR6L3MBTL1HTR1ADRD2
Hydrochloric Acid SCHEMBL4218280 0.89 HTR7 (0.73) HTR7HTR6KMT2AMEN1L3MBTL1

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 6 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

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 7/4885KMT2A 2422/4885

“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.