SCHEMBL1012715

SCHEMBL1012715

CC(=O)N1CCC(c2ccc(S(=O)(=O)c3ccc(O)cc3)cc2C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.40
CHRM2 P08172 4/20 0.38
MGLL Q99685 1/20 0.38
CNR2 P34972 2/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
OPRL1 P41146 1/20 0.38
SLC9A1 P19634 2/20 0.38
PDE4B Q07343 1/20 0.37
PROKR1 Q8TCW9 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 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
SCHEMBL1014250 0.90 BTK (0.39) CHRM2MGLLRAPGEF4PDE4BPROKR1
SCHEMBL1014709 0.88 MTNR1A (0.47) CHRM2PROKR1CHRM4CHRM1CHRM3
SCHEMBL1013449 0.84 RAPGEF4 (0.40) RAPGEF4
SCHEMBL1013448 0.84 RAPGEF4 (0.40) RAPGEF4
Hydrochloric Acid SCHEMBL1015783 0.83 HTR6 (0.40) RAPGEF4
SCHEMBL1018430 0.78 MMP1 (0.47) CHRM2PDE4BPROKR1CHRM4CHRM1
SCHEMBL12954783 0.77 GPR119 (0.46) PDE4B
SCHEMBL1013487 0.75 HTR6 (0.43)
SCHEMBL1015037 0.75 HTR6 (0.40)
SCHEMBL1014844 0.75 STS (0.53) CHRM2PDE4BCHRM1CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
EP-2081890-B1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-7776910-B2 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
US-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors ROCHE PALO ALTO LLC 2008-07-10 US disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 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-20080167361-A1 Arylsulfonyl pyrrolidines as 5-HT6 inhibitors HTR6, HTR1B, HTR1F QDPR 124/4885CHRM2 577/4885MGLL 2699/4885

“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.