SCHEMBL6811100

SCHEMBL6811100

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA7 P43166 9/20 0.48
CA14 Q9ULX7 9/20 0.48
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
CA12 O43570 8/20 0.48
CA9 Q16790 6/20 0.48
DRD2 P14416 4/20 0.48
DRD4 P21917 3/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
PNMT P11086 1/20 0.40
HTR6 P50406 1/20 0.38
HTR1D P28221 4/20 0.38
HTR1B P28222 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37

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
SCHEMBL6811274 0.84 PNMT (0.40) CA7CA14CA1CA2CA12
SCHEMBL6811267 0.84 HTR2C (0.42) CA7CA14CA1CA2CA12
SCHEMBL6812143 0.79 CA14 (0.42) CA7CA14CA1CA2CA12
SCHEMBL6812048 0.78 HTR1D (0.56) DRD2DRD4HTR1DHTR1BHTR1A
SCHEMBL5093578 0.78 HTR1D (0.56) DRD2DRD4HTR1DHTR1BHTR1A
SCHEMBL5090707 0.76 PNMT (0.41) DRD2DRD4PNMTHTR1DHTR1B
SCHEMBL5088620 0.76 PNMT (0.41) DRD2DRD4PNMTHTR1DHTR1B
SCHEMBL7408325 0.76 XBP1 (0.40) DRD2DRD4HTR1DHTR1BHTR1A
SCHEMBL7401152 0.76 HTR1D (0.46) DRD2DRD4HTR1DHTR1BHTR1A
SCHEMBL8550172 0.76 HTR1D (0.46) DRD2DRD4HTR1DHTR1BHTR1A

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 CA7 1618/4885CA14 1543/4885CA1 3616/4885

“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.