SCHEMBL7026567

SCHEMBL7026567

CC(C)c1ccccc1[S+]([O-])C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD1 P21728 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
KCNQ1 P51787 1/20 0.46
KCNH2 Q12809 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HTR7 P34969 2/20 0.46
PABPC1 P11940 1/20 0.45
HTR6 P50406 1/20 0.43

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
SCHEMBL7031674 0.87 HTR2A (0.47) HTR2AHTR2CTMEM97HTR7HTR6
SCHEMBL7026004 0.85 HTR2A (0.45) HTR2AHTR2CTMEM97HTR7HTR6
SCHEMBL7029662 0.84 HTR2A (0.53) HTR2AHTR2CDRD2ADRA2BDRD1
SCHEMBL7026063 0.84 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7026722 0.83 OPRM1 (0.47) HTR2AHTR2CKCNH2TMEM97HTR7
SCHEMBL7033457 0.83 HTR2A (0.48) HTR2AHTR2CHTR7PABPC1HTR6
SCHEMBL7023032 0.80 HTR2A (0.49) HTR2AHTR2CHTR7HTR6
SCHEMBL7030736 0.79 HTR2A (0.46) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7027090 0.78 HTR2A (0.52) HTR2AHTR2CKCNH2HTR7HTR6
SCHEMBL7027799 0.78 HTR2A (0.47) HTR2AHTR2CKCNH2HTR7HTR6

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 2 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
CN-1394203-A As 5-HT2APiperidine and piperazine derivatives of receptor antagonists MERCK PATENT GMBH (DE) 2003-01-29 CN 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 1/4885HTR2C 5/4885DRD2 32/4885

“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.