SCHEMBL10035577

SCHEMBL10035577

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.57
DRD4 P21917 2/20 0.57
DRD3 P35462 2/20 0.57
DRD2 P14416 1/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
HTR7 P34969 4/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
ABCB1 P08183 4/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.53
TMEM97 Q5BJF2 1/20 0.52
ALDH1A1 P00352 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 SCHEMBL2140355 0.99 HTR1A (0.56) HTR1ADRD4DRD3DRD2ADRA1D
SCHEMBL10035595 0.91 ABCB1 (0.64) HTR1ADRD4DRD3HTR7HTR2A
SCHEMBL2138032 0.91 HTR7 (0.57) HTR7ABCB1TMEM97
SCHEMBL10035624 0.91 MBTD1 (0.59) HTR1ADRD3DRD2HTR7HTR2A
SCHEMBL2137978 0.90 HTR7 (0.54) HTR7ABCB1TMEM97
Hydrochloric Acid SCHEMBL2138894 0.90 MBTD1 (0.58) HTR1ADRD3DRD2HTR7HTR2A
Hydrochloric Acid SCHEMBL2141854 0.90 ABCB1 (0.63) HTR1AHTR7HTR2AHTR2CABCB1
SCHEMBL10035558 0.90 HTR7 (0.56) DRD4DRD3DRD2HTR7HTR2A
SCHEMBL5402012 0.89 HTR7 (0.71) HTR7ABCB1TMEM97
SCHEMBL10035598 0.89 POLB (0.62) DRD3DRD2HTR7ABCB1KMT2A

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 HTR1A 2/4885DRD4 115/4885DRD3 157/4885

“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.