SCHEMBL7025841

SCHEMBL7025841

COc1cccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.48
GRM2 Q14416 3/20 0.48
HTR2C P28335 5/20 0.47
KCNH2 Q12809 3/20 0.47
HRH1 P35367 3/20 0.46
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR2B P41595 2/20 0.46
ADRA2B P18089 1/20 0.46
OPRK1 P41145 1/20 0.46
KCNQ1 P51787 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
PABPC1 P11940 1/20 0.46
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL7020162 0.84 HTR2A (0.50) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7108529 0.79 HTR2A (0.55) HTR2AHTR2CKCNH2HRH1DRD2
SCHEMBL7028380 0.79 HTR2A (0.52) HTR2AGRM2HTR2CKCNH2DRD2
SCHEMBL7031203 0.78 HTR2A (0.54) HTR2AGRM2HTR2CKCNH2HRH1
SCHEMBL7029989 0.77 KCNH2 (0.63) HTR2AHTR2CKCNH2DRD2HTR1A
SCHEMBL7031040 0.77 HTR2A (0.48) HTR2AGRM2HTR2CKCNH2HRH1
SCHEMBL7024062 0.76 HTR2A (0.70) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL7031756 0.75 HTR2A (0.55) HTR2AHTR2CKCNH2DRD2DRD1
SCHEMBL7029782 0.75 HTR2A (0.46) HTR2AGRM2HTR2CKCNH2HRH1
SCHEMBL7029502 0.75 HTR2A (0.82) HTR2AHTR2CKCNH2DRD2HTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists MERCK PATENT GMBH (DE) 2003-07-10 US disclosed
EP-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO 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-20030130287-A1 Piperidine and piperazine derivatives which function as 5-ht2a receptor antagonists HTR2A, HTR1A, HTR5A HTR2A 1/4885GRM2 28/4885HTR2C 5/4885

“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.