SCHEMBL6811274

SCHEMBL6811274

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.40
HTR1D P28221 6/20 0.40
DRD2 P14416 7/20 0.38
HTR2A P28223 5/20 0.38
DRD4 P21917 4/20 0.38
HTR1A P08908 3/20 0.38
HTR1B P28222 1/20 0.38
ALDH1A1 P00352 1/20 0.38
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 1/20 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
SCHEMBL6812183 0.84 HTT (0.38) PNMTHTR1DDRD2HTR2ADRD4
SCHEMBL6811100 0.84 CA7 (0.48) PNMTHTR1DDRD2HTR2ADRD4
SCHEMBL6811267 0.83 HTR2C (0.42) HTR1DDRD2HTR2ADRD4HTR1A
SCHEMBL6812426 0.81 HTT (0.37) PNMTHTR1DDRD2HTR2ADRD4
SCHEMBL6808344 0.81 HTT (0.37) PNMTHTR1DDRD2HTR2ADRD4
SCHEMBL8549578 0.77 HTR1D (0.62) HTR1DDRD2HTR2ADRD4HTR1A
SCHEMBL7408325 0.76 XBP1 (0.40) HTR1DDRD2HTR2ADRD4HTR1A
SCHEMBL7401152 0.73 HTR1D (0.46) HTR1DDRD2HTR2ADRD4HTR1A
SCHEMBL5088620 0.73 PNMT (0.41) PNMTHTR1DDRD2HTR2ADRD4
SCHEMBL5090707 0.73 PNMT (0.41) PNMTHTR1DDRD2HTR2ADRD4

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 PNMT 1709/4885HTR1D 124/4885DRD2 1606/4885

“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.