SCHEMBL10035537

SCHEMBL10035537

O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.73
HTR6 P50406 6/20 0.56
DRD2 P14416 4/20 0.56
HTR2A P28223 4/20 0.56
CCR1 P32246 1/20 0.55
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
TNF P01375 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 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 SCHEMBL2138856 0.99 HTR7 (0.72) HTR7HTR6DRD2HTR2ACCR1
SCHEMBL8980091 0.97 HTR7 (0.74) HTR7HTR6DRD2HTR2ACCR1
Hydrochloric Acid SCHEMBL4219449 0.96 HTR7 (0.72) HTR7HTR6DRD2HTR2ACCR1
SCHEMBL8980207 0.96 HTR7 (0.72) HTR7HTR6DRD2HTR2ACCR1
Hydrochloric Acid SCHEMBL4224070 0.95 HTR7 (0.71) HTR7HTR6DRD2HTR2ACCR1
SCHEMBL10035542 0.85 HTR7 (0.82) HTR7HTR6DRD2HTR2A
SCHEMBL5741137 0.85 HTR7 (1.00) HTR7HTR6HTR2A
SCHEMBL10035581 0.85 ABCB1 (0.56) HTR7HTR6HTR2ACCR1
Hydrochloric Acid SCHEMBL2136791 0.84 HTR7 (0.80) HTR7HTR6DRD2HTR2A
SCHEMBL10035524 0.84 HTR7 (0.72) HTR7HTR6HTR2A

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 1/4885HTR6 7/4885DRD2 42/4885

“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.