SCHEMBL10035583

SCHEMBL10035583

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccccc1Br)CC2

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.58
SIGMAR1 Q99720 3/20 0.54
ABCB1 P08183 3/20 0.51
TMEM97 Q5BJF2 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51

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 SCHEMBL2139474 0.99 HTR7 (0.58) HTR7SIGMAR1ABCB1TMEM97ABCG2
SCHEMBL8982683 0.97 SIGMAR1 (0.57) HTR7SIGMAR1ABCB1TMEM97
Hydrochloric Acid SCHEMBL4228774 0.96 SIGMAR1 (0.56) HTR7SIGMAR1ABCB1TMEM97
SCHEMBL10035614 0.89 HTR7 (0.59) HTR7SIGMAR1ABCB1TMEM97
Hydrochloric Acid SCHEMBL2138718 0.88 HTR7 (0.58) HTR7SIGMAR1ABCB1TMEM97
SCHEMBL2137287 0.88 HTR7 (0.58) HTR7SIGMAR1ABCB1TMEM97
SCHEMBL10035590 0.86 HTR7 (0.61) HTR7SIGMAR1ABCB1TMEM97
SCHEMBL10035636 0.86 HTR7 (0.57) HTR7ABCB1
SCHEMBL10035567 0.86 HTR7 (0.78) HTR7SIGMAR1ABCB1ABCG2
SCHEMBL10035563 0.86 SMN1; SMN2 (0.59) HTR7SIGMAR1ABCB1TMEM97

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 1/4885SIGMAR1 189/4885ABCB1 551/4885

“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.