SCHEMBL20063857

SCHEMBL20063857

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
SCN9A Q15858 2/20 0.42
SPHK1 Q9NYA1 4/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRL1 P41146 1/20 0.33
KIF11 P52732 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL20063875 1.00 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20063856 0.85 HTR2C (0.37) DRD3SCN9ASIGMAR1
SCHEMBL20063438 0.80 SCN9A (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20073199 0.80 SCN9A (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20095502 0.80 DRD2 (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21306629 0.80 HTR2C (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20063901 0.79 SLC6A2 (0.44) SCN9A
SCHEMBL11830694 0.78 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20095932 0.77 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5
SCHEMBL20095930 0.77 DRD2 (0.55) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 DRD2 1844/4885DRD3 1565/4885DRD1 1972/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 DRD2 1844/4885DRD3 1565/4885DRD1 1972/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 DRD2 1936/4885DRD3 1610/4885DRD1 2123/4885

“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.