SCHEMBL10035554

SCHEMBL10035554

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccc3oc(=O)ccc3c1)CC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.55
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ABCB1 P08183 4/20 0.49
ABCC1 P33527 1/20 0.49
HTR1A P08908 2/20 0.49
ADRA2A P08913 2/20 0.49
DRD2 P14416 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR6 P50406 1/20 0.49
PKM P14618 1/20 0.48
TP53 P04637 1/20 0.47

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 SCHEMBL2136535 0.99 HTR7 (0.55) HTR7POLBNPSR1ABCB1ABCC1
SCHEMBL8980799 0.97 HTR7 (0.56) HTR7POLBNPSR1ABCB1ABCC1
Hydrochloric Acid SCHEMBL5410199 0.97 HTR7 (0.55) HTR7POLBNPSR1ABCB1ABCC1
SCHEMBL8980554 0.97 HTR7 (0.55) HTR7POLBNPSR1ABCB1ABCC1
SCHEMBL10035568 0.85 HTR7 (0.76) HTR7POLBHTR1AADRA2ADRD2
Hydrochloric Acid SCHEMBL2136897 0.84 HTR7 (0.74) HTR7POLBHTR1AADRA2ADRD2
SCHEMBL10035598 0.84 POLB (0.62) HTR7POLBABCB1DRD2
SCHEMBL8980566 0.84 HTR7 (0.75) HTR7POLBDRD2HTR2AHTR6
Hydrochloric Acid SCHEMBL2138910 0.83 POLB (0.61) HTR7POLBABCB1DRD2
SCHEMBL8980849 0.83 HTR7 (0.74) HTR7POLBHTR6TP53

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 1/4885POLB 3250/4885NPSR1 22/4885

“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.