SCHEMBL5209868

SCHEMBL5209868

N#Cc1ccc(S(=O)(=O)C2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CCR6 P51684 3/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KDM1A O60341 3/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
PTGS2 P35354 1/20 0.40
CYP19A1 P11511 1/20 0.39
HTR3A P46098 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38

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
Hydrochloric Acid SCHEMBL15231560 0.98 KCNH2 (0.45) KCNH2HTR2AHTR2CCCR6CA1
SCHEMBL2581906 0.84 HTR2A (0.47) KCNH2HTR2AHTR2CCCR6CA1
SCHEMBL15231519 0.81 CCR6 (0.46) KCNH2HTR2AHTR2CCCR6CA1
SCHEMBL10797368 0.81 APLNR (0.45) KCNH2HTR2AHTR2CCCR6CA1
Hydrochloric Acid SCHEMBL10794480 0.80 APLNR (0.44) KCNH2HTR2AHTR2CCCR6CA1
SCHEMBL5212828 0.79 CYP11B1 (0.49) KCNH2HTR2AHTR2CPTGS2LMNA
SCHEMBL3075967 0.79 LMNA (0.41) KCNH2HTR2AHTR2CLMNACYP3A4
SCHEMBL12017803 0.79 HTR6 (0.46) CA1CA2CA12CA9LMNA
SCHEMBL18318428 0.79 NAMPT (0.42) KCNH2HTR2AHTR2CCA1CA2
SCHEMBL2798239 0.79 MAPT (0.50) KCNH2HTR2AHTR2CCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024165050-A1 PROTEOLYSIS-TARGETING CHIMERA (PROTAC) COMPOUNDS AND USES THEREOF FIELD AUBRAK THERAPEUTICS (CN) 2024-08-15 WO disclosed
EP-1641756-B1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME (GB) 2007-04-11 EP disclosed
US-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor MERCK SHARP & DOHME LTD. (GB) 2006-09-21 US disclosed
EP-1641756-A1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME LTD. (GB) 2006-04-05 EP disclosed
WO-2004101518-A1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME LIMITED (GB) 2004-11-25 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-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor HTR2A, HTR2C, HTR5A KCNH2 442/4885HTR2A 1/4885HTR2C 2/4885

“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.