SCHEMBL6811265

SCHEMBL6811265

CNS(=O)(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2csc3cc(C#N)ccc23)C[C@H]1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.57
SLC6A4 P31645 10/20 0.57
HTR1B P28222 10/20 0.57
HTR1A P08908 8/20 0.57
DRD2 P14416 5/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD4 P21917 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL6816730 0.92 HTR1D (0.60) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL6811132 0.88 HTR1D (0.74) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL5090873 0.86 HTR1D (0.59) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL5097776 0.86 HTR1D (0.61) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL6811202 0.85 HTR1D (0.77) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL5093545 0.84 HTR1D (0.57) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL5097758 0.84 HTR1D (0.57) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL5092305 0.83 HTR1D (0.56) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL5088691 0.83 HTR1D (0.56) HTR1DSLC6A4HTR1BHTR1ADRD2
SCHEMBL5098874 0.83 HTR1D (0.56) HTR1DSLC6A4HTR1BHTR1ADRD2

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 HTR1D 124/4885SLC6A4 1958/4885HTR1B 373/4885

“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.