SCHEMBL10035588

SCHEMBL10035588

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.57
SIGMAR1 Q99720 2/20 0.55
TMEM97 Q5BJF2 1/20 0.55
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ABCB1 P08183 2/20 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 SCHEMBL2136320 0.99 HTR7 (0.56) HTR7SIGMAR1TMEM97DRD2DRD3
SCHEMBL8982140 0.97 SIGMAR1 (0.59) HTR7SIGMAR1TMEM97DRD2DRD3
Hydrochloric Acid SCHEMBL4230108 0.96 SIGMAR1 (0.58) HTR7SIGMAR1TMEM97DRD2DRD3
SCHEMBL10035602 0.90 ABCB1 (0.58) HTR7DRD3ABCB1
SCHEMBL5402012 0.90 HTR7 (0.71) HTR7SIGMAR1TMEM97ABCB1
SCHEMBL10035561 0.89 HTR7 (0.56) HTR7SIGMAR1TMEM97DRD2DRD3
SCHEMBL10035612 0.89 L3MBTL1 (0.57) HTR7SIGMAR1TMEM97DRD2DRD3
Hydrochloric Acid SCHEMBL2137282 0.89 ABCB1 (0.57) HTR7DRD3ABCB1
SCHEMBL14503621 0.89 HTR7 (0.56) HTR7DRD3ABCB1
SCHEMBL10035624 0.89 MBTD1 (0.59) HTR7SIGMAR1TMEM97DRD2DRD3

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 189/4885TMEM97 106/4885

“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.