SCHEMBL10035620

SCHEMBL10035620

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccc(Oc3ccccc3)cc1)CC2

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.61
HTR1A P08908 2/20 0.55
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
ABCB1 P08183 3/20 0.54
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
HTR6 P50406 1/20 0.50

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 SCHEMBL2137773 0.99 HTR7 (0.60) HTR7HTR1AHTR2AHTR2CABCB1
SCHEMBL5402012 0.92 HTR7 (0.71) HTR7ABCB1
SCHEMBL10035595 0.91 ABCB1 (0.64) HTR7HTR1AHTR2AHTR2CABCB1
SCHEMBL10035562 0.90 HTR7 (0.63) HTR7HTR1AHTR2AHTR2CABCB1
Hydrochloric Acid SCHEMBL2141854 0.90 ABCB1 (0.63) HTR7HTR1AHTR2AHTR2CABCB1
Hydrochloric Acid SCHEMBL2141212 0.89 HTR7 (0.62) HTR7ABCB1DRD2
SCHEMBL8983429 0.89 HTR7 (0.72) HTR7ABCB1DRD2HTR6
SCHEMBL8983540 0.88 ABCB1 (0.61) HTR7HTR1AHTR2AHTR2CABCB1
Hydrochloric Acid SCHEMBL4218491 0.88 HTR7 (0.71) HTR7ABCB1DRD2HTR6
SCHEMBL8981592 0.87 HTR7 (0.64) HTR7ABCB1DRD2

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-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

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 1/4885HTR1A 2/4885HTR2A 6/4885

“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.