SCHEMBL10035541

SCHEMBL10035541

O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.67
CCR1 P32246 1/20 0.57
HTR6 P50406 2/20 0.53
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HTR1A P08908 1/20 0.46
DRD3 P35462 1/20 0.46

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 SCHEMBL2139786 0.99 HTR7 (0.66) HTR7CCR1HTR6HDAC3HDAC1
SCHEMBL8980171 0.98 HTR7 (0.70) HTR7CCR1HTR6HDAC3HDAC1
SCHEMBL8980519 0.97 HTR7 (0.69) HTR7CCR1HTR6HDAC3HDAC1
Hydrochloric Acid SCHEMBL4228914 0.97 HTR7 (0.69) HTR7CCR1HTR6HDAC3HDAC1
Hydrochloric Acid SCHEMBL4219517 0.96 HTR7 (0.67) HTR7CCR1HTR6HDAC3HDAC1
SCHEMBL10035582 0.86 TMEM97 (0.56) HTR7CCR1
Hydrochloric Acid SCHEMBL2142001 0.85 TMEM97 (0.56) HTR7CCR1
SCHEMBL8982649 0.84 TMEM97 (0.58) HTR7
SCHEMBL8982583 0.84 HTR7 (0.53) HTR7CCR1HTR6DRD3
Hydrochloric Acid SCHEMBL4228324 0.83 TMEM97 (0.57) HTR7

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 4 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-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 1/4885CCR1 1278/4885HTR6 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.