SCHEMBL5213110

SCHEMBL5213110

O=S(=O)(c1ccccc1)C1(F)CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
RORC P51449 3/20 0.44
HTR2C P28335 2/20 0.43
HTR2A P28223 2/20 0.43
KCNH2 Q12809 1/20 0.43
OPRM1 P35372 1/20 0.42
HTR6 P50406 6/20 0.40
HTR2B P41595 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TSHR P16473 1/20 0.37
MMP3 P08254 1/20 0.36
MMP10 P09238 1/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36

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 SCHEMBL5208964 0.98 GAA (0.47) GAAMCOLN3RORCHTR2CHTR2A
Hydrochloric Acid SCHEMBL5208960 0.96 GAA (0.46) GAAMCOLN3RORCHTR2CHTR2A
SCHEMBL5217170 0.84 MMP3 (0.50) RORCHTR2CHTR2AKCNH2HTR2B
Hydrochloric Acid SCHEMBL5211487 0.82 MMP3 (0.49) RORCHTR2CHTR2AKCNH2HTR2B
SCHEMBL5208997 0.82 MMP3 (0.40) RORCHTR2CHTR2AKCNH2MMP3
Hydrochloric Acid SCHEMBL5210814 0.81 MMP3 (0.39) HTR2CHTR2AKCNH2MMP3MMP10
Hydrochloric Acid SCHEMBL5211483 0.81 MMP3 (0.48) RORCHTR2CHTR2AKCNH2HTR2B
Hydrochloric Acid SCHEMBL5210809 0.80 MMP3 (0.39) HTR2CHTR2AKCNH2MMP3MMP10
SCHEMBL5218102 0.80 DRD2 (0.49) RORCHTR2CHTR2AKCNH2TSHR
SCHEMBL6743054 0.79 MMP13 (0.46) GAAMCOLN3RORCOPRM1MMP3

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
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
CN-1787997-A 4-arylsulphonylpiperidine derivatives for antagonism of the 5-HT2A receptor MERCK SHARP & DOHME (GB) 2006-06-14 CN 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 GAA 4670/4885MCOLN3 2592/4885RORC 3056/4885

“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.