SCHEMBL20063871

SCHEMBL20063871

CN(C)[C@H]1CC(c2cccc(C3CC3)c2)CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.48
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.40
SCN9A Q15858 13/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 2/20 0.37
RORC P51449 1/20 0.36

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
SCHEMBL20063862 1.00 KDM1A (0.48) KDM1AMAOBMAOASCN9AKMT2A
SCHEMBL21838607 1.00 KDM1A (0.48) KDM1AMAOBMAOASCN9AKMT2A
SCHEMBL21306642 0.93 KDM1A (0.45) KDM1AMAOBMAOASCN9AKMT2A
SCHEMBL21306752 0.93 KDM1A (0.45) KDM1AMAOBMAOASCN9AKMT2A
SCHEMBL21307027 0.92 KDM1A (0.44) KDM1AMAOBSCN9A
SCHEMBL20063915 0.92 KDM1A (0.44) KDM1AMAOBMAOASCN9A
SCHEMBL20063893 0.92 KDM1A (0.55) KDM1AMAOBMAOASCN9AKMT2A
SCHEMBL20063765 0.91 SCN9A (0.48) KDM1AMAOBSCN9A
SCHEMBL20063852 0.91 SCN9A (0.48) KDM1AMAOBSCN9A
SCHEMBL20072906 0.91 SCN9A (0.48) KDM1AMAOBSCN9A

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 KDM1A 2698/4885MAOB 2190/4885MAOA 3172/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 KDM1A 2698/4885MAOB 2190/4885MAOA 3172/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KDM1A 2873/4885MAOB 2113/4885MAOA 3140/4885

“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.