SCHEMBL6679665

SCHEMBL6679665

COc1cccc(S(=O)(=O)c2ccc(CCCN)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.51
MTNR1B P49286 1/20 0.50
MAOB P27338 3/20 0.49
TAAR1 Q96RJ0 2/20 0.48
TAS2R14 Q9NYV8 1/20 0.45
ABCC9 O60706 1/20 0.45
ABCC8 Q09428 1/20 0.45
KCNJ11 Q14654 1/20 0.45
KCNJ8 Q15842 1/20 0.45
NAMPT P43490 3/20 0.44
PKM P14618 1/20 0.44
PDE4B Q07343 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6541389 0.86 PKM (0.61) HTR6MAOBTAAR1PKM
SCHEMBL6540478 0.82 TAAR1 (0.69) HTR6MTNR1BMAOBTAAR1TAS2R14
SCHEMBL6676685 0.79 CHRM2 (0.51) MTNR1BTAS2R14CHRM2
SCHEMBL12325401 0.79 PKM (0.70) HTR6MTNR1BTAS2R14ABCC9ABCC8
SCHEMBL3151230 0.79 MTNR1B (0.56) HTR6MTNR1BABCC9ABCC8KCNJ11
SCHEMBL31352975 0.79 MTNR1B (0.56) HTR6MTNR1BABCC9ABCC8KCNJ11
SCHEMBL8865965 0.78 LMNA (0.56) HTR6MTNR1BABCC9ABCC8KCNJ11
SCHEMBL14282636 0.77 PGR (0.56) HTR6MTNR1BTAS2R14ABCC9ABCC8
SCHEMBL6678463 0.77 ABCC9 (0.54) MTNR1BABCC9ABCC8KCNJ11KCNJ8
SCHEMBL14282635 0.76 HTT (0.59) HTR6MTNR1BABCC9ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 HTR6 689/4885MTNR1B 1266/4885MAOB 3211/4885

“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.