SCHEMBL7025804

SCHEMBL7025804

COc1ccccc1S(=O)(=O)C1CCN(CCc2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 2/20 0.53
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
DRD2 P14416 1/20 0.42

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
SCHEMBL7031203 0.88 HTR2A (0.54) KCNH2HTR2AHTR2CADRA1BDRD2
SCHEMBL7031762 0.88 KCNH2 (0.54) KCNH2HTR2AHTR2CHRH3ADRA1D
SCHEMBL7022853 0.81 HTR2A (0.52) KCNH2HTR2AHTR2CTDP1L3MBTL1
SCHEMBL7024242 0.80 HTR2A (0.82) KCNH2HTR2AHTR2CTDP1L3MBTL1
SCHEMBL7029654 0.78 HTR2A (0.70) KCNH2HTR2AHTR2CDRD2
SCHEMBL7023864 0.75 HTR1A (0.54) KCNH2HTR2AHTR2CADRA1BDRD2
SCHEMBL7029996 0.74 KCNH2 (0.45) KCNH2TDP1L3MBTL1HRH3ADRA1D
SCHEMBL7030438 0.74 HTR2A (0.56) KCNH2HTR2AHTR2CDRD2
SCHEMBL7034106 0.73 HTR2A (0.62) KCNH2HTR2AHTR2CDRD2
SCHEMBL7023723 0.73 HTR2A (0.59) KCNH2HTR2AHTR2CDRD2

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 KCNH2 914/4885HTR2A 1/4885HTR2C 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.