SCHEMBL20073199

SCHEMBL20073199

CCCc1cccc([C@H]2CC[C@H](NC(C)C)[C@@H](N(C)C)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.46
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
HTR1A P08908 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL20063438 0.84 SCN9A (0.48) SCN9ADRD2DRD3DRD1DRD4
SCHEMBL20063492 0.81 SCN9A (0.45) SCN9A
SCHEMBL20063857 0.80 DRD2 (0.46) SCN9ADRD2DRD3DRD1DRD4
SCHEMBL20063875 0.80 DRD2 (0.46) SCN9ADRD2DRD3DRD1DRD4
SCHEMBL23638938 0.78 SCN9A (0.49) SCN9A
SCHEMBL20063874 0.77 SCN9A (0.45) SCN9ADRD2DRD3DRD1DRD4
SCHEMBL20063861 0.77 SCN9A (0.45) SCN9ADRD2DRD3DRD1DRD4
SCHEMBL23638940 0.76 SCN9A (0.51) SCN9A
SCHEMBL20095930 0.75 DRD2 (0.55) SCN9ADRD2DRD3DRD1DRD4
SCHEMBL20095932 0.75 DRD2 (0.55) SCN9ADRD2DRD3DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (2 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885DRD2 1844/4885DRD3 1565/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885DRD2 1936/4885DRD3 1610/4885

“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.