SCHEMBL8980545

SCHEMBL8980545

O=S(=O)(NCCCCN1CCc2ccccc2C1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.72
HTR6 P50406 2/20 0.59
DRD3 P35462 4/20 0.50
DRD2 P14416 3/20 0.50
HTR1A P08908 2/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NCOR2 Q9Y618 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 SCHEMBL4234386 0.99 HTR7 (0.71) HTR7HTR6DRD3DRD2HTR1A
SCHEMBL10035533 0.96 HTR7 (0.72) HTR7HTR6DRD3DRD2HTR1A
Hydrochloric Acid SCHEMBL2137988 0.95 HTR7 (0.70) HTR7HTR6DRD3DRD2HTR1A
SCHEMBL8981578 0.89 HTR7 (0.71) HTR7HTR6DRD3DRD2HTR1A
Hydrochloric Acid SCHEMBL4221549 0.88 HTR7 (0.69) HTR7HTR6DRD3DRD2HTR1A
SCHEMBL8980661 0.86 HTR7 (0.72) HTR7HTR6DRD3DRD2HTR1A
SCHEMBL8980475 0.86 HTR7 (0.72) HTR7HTR6DRD3DRD2HTR1A
SCHEMBL8979922 0.85 HTR7 (0.82) HTR7HTR6DRD3DRD2HTR1A
SCHEMBL8980995 0.85 HTR7 (0.71) HTR7HTR6DRD3DRD2HDAC3
SCHEMBL8980503 0.85 HTR7 (0.71) HTR7HTR6HDAC3HDAC1HDAC2

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 7/4885DRD3 122/4885

“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.