SCHEMBL10035612

SCHEMBL10035612

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1cccc(Br)c1)CC2

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
HTR7 P34969 5/20 0.56
SIGMAR1 Q99720 2/20 0.52
ABCB1 P08183 3/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
TMEM97 Q5BJF2 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 SCHEMBL2140649 0.99 L3MBTL1 (0.56) L3MBTL1HTR7SIGMAR1ABCB1ABCG2
SCHEMBL8983653 0.97 L3MBTL1 (0.61) L3MBTL1HTR7SIGMAR1ABCB1ABCG2
Hydrochloric Acid SCHEMBL4223954 0.96 L3MBTL1 (0.60) L3MBTL1HTR7SIGMAR1ABCB1ABCG2
SCHEMBL10035588 0.89 HTR7 (0.57) HTR7SIGMAR1ABCB1DRD2DRD3
SCHEMBL10035602 0.89 ABCB1 (0.58) HTR7ABCB1DRD3
SCHEMBL5402012 0.89 HTR7 (0.71) HTR7SIGMAR1ABCB1TMEM97
SCHEMBL10035561 0.88 HTR7 (0.56) HTR7SIGMAR1ABCB1DRD2DRD3
Hydrochloric Acid SCHEMBL2136320 0.88 HTR7 (0.56) HTR7SIGMAR1ABCB1DRD2DRD3
SCHEMBL14503621 0.88 HTR7 (0.56) HTR7ABCB1DRD3
Hydrochloric Acid SCHEMBL2137282 0.88 ABCB1 (0.57) HTR7ABCB1DRD3

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 L3MBTL1 4246/4885HTR7 1/4885SIGMAR1 189/4885

“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.