SCHEMBL10035633

SCHEMBL10035633

COc1cc2c(cc1OC)CN(CCCNS(=O)(=O)c1ccc(F)c3ccccc13)CC2

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.60
ABCB1 P08183 3/20 0.50
SIGMAR1 Q99720 3/20 0.49
HTR1A P08908 2/20 0.49
DRD2 P14416 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48

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 SCHEMBL2138653 0.99 HTR7 (0.59) HTR7ABCB1SIGMAR1HTR1ADRD2
SCHEMBL10035566 0.90 HTR7 (0.61) HTR7ABCB1SIGMAR1HTR1ATSHR
Hydrochloric Acid SCHEMBL2141264 0.89 HTR7 (0.60) HTR7ABCB1SIGMAR1TSHRTDP1
SCHEMBL10035632 0.89 HTR7 (0.60) HTR7ABCB1SIGMAR1HTR1ATSHR
Hydrochloric Acid SCHEMBL2138832 0.88 HTR7 (0.59) HTR7ABCB1SIGMAR1TSHRTDP1
SCHEMBL10035560 0.88 ABCB1 (0.52) HTR7ABCB1SIGMAR1DRD3TMEM97
SCHEMBL8983053 0.87 HTR7 (0.57) HTR7ABCB1SIGMAR1HTR1ATSHR
SCHEMBL10035567 0.87 HTR7 (0.78) HTR7ABCB1SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL2139771 0.87 ABCB1 (0.52) HTR7ABCB1SIGMAR1DRD3TMEM97
SCHEMBL10035593 0.86 HTR7 (0.69) HTR7TSHRTDP1

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 1/4885ABCB1 551/4885SIGMAR1 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.