SCHEMBL20063874

SCHEMBL20063874

CCCc1cccc(C2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N(C)C)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.45
MAOB P27338 2/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
PDE4B Q07343 1/20 0.35
NAAA Q02083 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
SCHEMBL20063861 1.00 SCN9A (0.45) SCN9AMAOBKDM1AMAOAKMT2A
SCHEMBL20063862 0.89 KDM1A (0.48) SCN9AMAOBKDM1AMAOAKMT2A
SCHEMBL20063871 0.89 KDM1A (0.48) SCN9AMAOBKDM1AMAOAKMT2A
SCHEMBL21838607 0.89 KDM1A (0.48) SCN9AMAOBKDM1AMAOAKMT2A
SCHEMBL21306752 0.85 KDM1A (0.45) SCN9AMAOBKDM1AMAOAKMT2A
SCHEMBL21306642 0.85 KDM1A (0.45) SCN9AMAOBKDM1AMAOAKMT2A
SCHEMBL21307027 0.84 KDM1A (0.44) SCN9AMAOBKDM1A
SCHEMBL20063915 0.84 KDM1A (0.44) SCN9AMAOBKDM1AMAOA
SCHEMBL20063893 0.83 KDM1A (0.55) SCN9AMAOBKDM1AMAOAKMT2A
SCHEMBL20063765 0.82 SCN9A (0.48) SCN9AMAOBKDM1A

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 6 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
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

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 SCN9A 1478/4885MAOB 2190/4885KDM1A 2698/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885MAOB 2190/4885KDM1A 2698/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885MAOB 2113/4885KDM1A 2873/4885

“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.