SCHEMBL5434318

SCHEMBL5434318

Cc1cc2cc(NS(=O)(=O)CCc3cccc4ccccc34)ccc2n1C(C)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.54
NQO2 P16083 1/20 0.36
ECE1 P42892 1/20 0.35
NTSR1 P30989 1/20 0.34
NR1I2 O75469 3/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4042471 0.81 HTR6 (0.70) HTR6ECE1MEN1MAPTKMT2A
SCHEMBL3156652 0.70 HTR6 (1.00) HTR6
SCHEMBL1576075 0.67 HTR6 (0.61) HTR6ADRA1DADRA1AADRA1B
SCHEMBL3153685 0.66 HTR6 (0.76) HTR6NTSR1NR1I2ADRA1DADRA1A
SCHEMBL5320131 0.65 NQO2 (0.58) HTR6NQO2
SCHEMBL3148875 0.65 HTR6 (0.49) HTR6MEN1KMT2A
SCHEMBL6508983 0.65 HDAC1 (0.58) HTR6
SCHEMBL9259940 0.64 PSEN1 (0.54) HTR6
SCHEMBL3149389 0.64 HTR6 (1.00) HTR6ADRA1DADRA1AADRA1B
SCHEMBL13757788 0.64 HTR6 (0.49) HTR6NQO2ADRA1DADRA1AADRA1B

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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R HTR6 1/4885NQO2 2712/4885ECE1 1616/4885

“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.