SCHEMBL10035552

SCHEMBL10035552

O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccccc1Br

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.70
CCR1 P32246 1/20 0.54
HTR6 P50406 2/20 0.53
RECQL P46063 1/20 0.51
MAPT P10636 1/20 0.51
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 SCHEMBL2138889 0.99 HTR7 (0.69) HTR7CCR1HTR6RECQLMAPT
SCHEMBL8980066 0.96 HTR7 (0.72) HTR7CCR1HTR6RECQLHDAC3
Hydrochloric Acid SCHEMBL4232265 0.95 HTR7 (0.71) HTR7CCR1HTR6RECQLHDAC3
SCHEMBL8980068 0.95 HTR7 (0.71) HTR7CCR1HTR6RECQLHDAC3
Hydrochloric Acid SCHEMBL4228846 0.94 HTR7 (0.70) HTR7CCR1HTR6RECQLHDAC3
SCHEMBL10035583 0.85 HTR7 (0.58) HTR7
SCHEMBL14503570 0.85 HTR7 (0.62) HTR7HTR6MAPTHDAC3HDAC1
Hydrochloric Acid SCHEMBL2139474 0.84 HTR7 (0.58) HTR7
Hydrochloric Acid SCHEMBL2138969 0.84 HTR7 (0.61) HTR7HTR6MAPT
SCHEMBL10035549 0.84 HTR7 (0.94) HTR7CCR1HTR6

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 1/4885CCR1 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.