SCHEMBL10035536

SCHEMBL10035536

COc1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.70
POLB P06746 1/20 0.60
HTR6 P50406 3/20 0.59
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 1/20 0.56
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53

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 SCHEMBL2137689 0.99 HTR7 (0.69) HTR7POLBHTR6CYP3A4CYP2C19
SCHEMBL8980552 0.97 HTR7 (0.71) HTR7POLBHTR6CYP3A4CYP2C19
SCHEMBL8981174 0.96 HTR7 (0.70) HTR7POLBHTR6CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4220665 0.96 HTR7 (0.70) HTR7POLBHTR6CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4227474 0.95 HTR7 (0.68) HTR7POLBHTR6CYP3A4CYP2C19
SCHEMBL10035598 0.92 POLB (0.62) HTR7POLBLMNAMAPK1HTT
Hydrochloric Acid SCHEMBL2138910 0.91 POLB (0.61) HTR7POLBLMNAMAPK1HTT
SCHEMBL8982167 0.88 HTR7 (0.59) HTR7POLBHTR6LMNAMAPK1
Hydrochloric Acid SCHEMBL4230226 0.88 HTR7 (0.58) HTR7POLBHTR6LMNAMAPK1
SCHEMBL10035522 0.85 HTR7 (0.72) HTR7POLBHTR6NPSR1TP53

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-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-8148397-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-04-03 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-20090088450-A1 5-ht7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-04-02 US disclosed
US-7211584-B2 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-01 US disclosed
US-7211584-B2 5-HT7 receptor ligands 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-20090088450-A1 5-ht7 receptor antagonists HTR7, HTR1A, HTR5A HTR7 1/4885POLB 3250/4885HTR6 7/4885

“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.