SCHEMBL7022853

SCHEMBL7022853

COc1ccc(S(=O)(=O)C2CCN(CCc3ccncc3)CC2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
KCNH2 Q12809 3/20 0.52
HTR2C P28335 2/20 0.52
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
EBP Q15125 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
NAMPT P43490 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL7026059 0.87 HTR2A (0.56) HTR2AKCNH2HTR2CSMN1; SMN2ADRA1A
SCHEMBL7025804 0.81 KCNH2 (0.53) HTR2AKCNH2HTR2CADRA1AADRA1B
SCHEMBL7024242 0.79 HTR2A (0.82) HTR2AKCNH2HTR2CNAMPTTDP1
SCHEMBL9678100 0.77 KCNH2 (0.48) HTR2AKCNH2HTR2CADRA1AADRA1B
SCHEMBL7025832 0.76 EBP (0.43) EBPSIGMAR1TMEM97TDP1L3MBTL1
SCHEMBL7034106 0.75 HTR2A (0.62) HTR2AKCNH2HTR2C
SCHEMBL10512244 0.74 TMEM97 (0.46) HTR2AKCNH2HTR2CHTTSMN1; SMN2
SCHEMBL7029989 0.72 KCNH2 (0.63) HTR2AKCNH2HTR2CSIGMAR1HRH3
SCHEMBL7024062 0.70 HTR2A (0.70) HTR2AKCNH2HTR2C
SCHEMBL7031203 0.69 HTR2A (0.54) HTR2AKCNH2HTR2CADRA1BTMEM97

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 1/4885KCNH2 914/4885HTR2C 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.