SCHEMBL8980486

SCHEMBL8980486

CC(C)c1ccc(S(=O)(=O)NCCCCN2CCc3ccccc3C2)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.77
HTR6 P50406 2/20 0.61
TP53 P04637 1/20 0.52
OPRK1 P41145 1/20 0.49
HTR1A P08908 1/20 0.49

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 SCHEMBL4228271 0.99 HTR7 (0.76) HTR7HTR6TP53OPRK1HTR1A
SCHEMBL8981200 0.99 HTR7 (0.76) HTR7HTR6TP53OPRK1HTR1A
Hydrochloric Acid SCHEMBL4234374 0.98 HTR7 (0.74) HTR7HTR6TP53OPRK1HTR1A
SCHEMBL10035531 0.97 HTR7 (0.77) HTR7HTR6TP53OPRK1
Hydrochloric Acid SCHEMBL2136236 0.96 HTR7 (0.75) HTR7HTR6TP53OPRK1
SCHEMBL8979897 0.88 HTR7 (0.82) HTR7HTR6TP53OPRK1HTR1A
SCHEMBL8979883 0.88 HTR7 (0.82) HTR7HTR6TP53OPRK1HTR1A
SCHEMBL8980638 0.88 HTR7 (0.82) HTR7HTR6HTR1A
SCHEMBL8979759 0.87 HTR7 (1.00) HTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL4219515 0.87 HTR7 (0.80) HTR7HTR6HTR1A

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 7/4885TP53 4792/4885

“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.