SCHEMBL6811267

SCHEMBL6811267

CN(C)S(=O)(=O)c1ccc2c(c1)CCO[C@H]2CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
TSHR P16473 1/20 0.40
DRD2 P14416 5/20 0.37
DRD4 P21917 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HTR6 P50406 4/20 0.37
HTR1D P28221 4/20 0.36
HTR2A P28223 3/20 0.36
HTR1A P08908 2/20 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
SCHEMBL6808621 0.84 HTR2C (0.39) HTR2CHTR2BTSHRDRD2DRD4
SCHEMBL6811100 0.84 CA7 (0.48) DRD2DRD4CA12CA1CA2
SCHEMBL6811274 0.83 PNMT (0.40) DRD2DRD4CA12CA1CA2
SCHEMBL6811838 0.81 HTR2C (0.37) HTR2CHTR2BTSHRDRD2DRD4
SCHEMBL6808728 0.77 HTR1D (0.45) DRD2DRD4HTR1DHTR2AHTR1A
SCHEMBL7408325 0.76 XBP1 (0.40) DRD2DRD4HTR1DHTR2AHTR1A
SCHEMBL20906508 0.74 HTR1D (0.43) DRD2DRD4HTR1DHTR2AHTR1A
SCHEMBL5090707 0.73 PNMT (0.41) DRD2DRD4HTR1DHTR2AHTR1A
SCHEMBL7401152 0.73 HTR1D (0.46) HTR2BDRD2DRD4HTR1DHTR2A
SCHEMBL5088620 0.73 PNMT (0.41) DRD2DRD4HTR1DHTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US 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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR2C 1211/4885HTR2B 1463/4885TSHR 3174/4885

“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.