SCHEMBL7028266

SCHEMBL7028266

COc1ccc([S+]([O-])C2CCN(CCc3ccc(F)cc3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
GRM2 Q14416 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
DRD1 P21728 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNH2 Q12809 1/20 0.48
ABCB1 P08183 1/20 0.47
HTR1A P08908 2/20 0.46
SLC6A4 P31645 2/20 0.46
SIGMAR1 Q99720 3/20 0.46
EBP Q15125 2/20 0.46
EHMT2 Q96KQ7 1/20 0.43
DNMT3A Q9Y6K1 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
SCHEMBL7025832 0.87 EBP (0.43) TMEM97ABCB1HTR1ASLC6A4SIGMAR1
SCHEMBL7020892 0.85 SIGMAR1 (0.55) HTR2ATMEM97DRD2ADRA2BDRD1
SCHEMBL7027090 0.85 HTR2A (0.52) HTR2AHTR2CKCNH2
SCHEMBL7029662 0.83 HTR2A (0.53) HTR2ATMEM97GRM2DRD2ADRA2B
SCHEMBL7030060 0.82 HTR2A (0.47) HTR2AHTR2CKCNH2
SCHEMBL7029637 0.82 HRH3 (0.49) HTR2AHTR2CHRH1KCNH2
SCHEMBL7031382 0.81 HTR1A (0.54) HTR2ATMEM97GRM2DRD2ADRA2B
SCHEMBL27585694 0.81 HTR2A (0.46) HTR2AHTR2CKCNH2HTR1ASLC6A4
SCHEMBL7032552 0.80 HRH3 (0.47) HTR2AHTR2CSLC6A4
SCHEMBL7030755 0.80 SIGMAR1 (0.50) HTR2AHTR2CSIGMAR1

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-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
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 1/4885TMEM97 150/4885GRM2 28/4885

“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.