SCHEMBL20072884

SCHEMBL20072884

CN(C)[C@H]1CC(c2ccc(C(F)(F)F)cc2)CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F2R P25116 1/20 0.37
TACR1 P25103 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL20073175 1.00 SCN9A (0.42) SCN9AKDM1AMAOBMAOAKDM4E
SCHEMBL20063884 0.88 KDM1A (0.45) KDM1AMAOBMAOAGAAHDAC4
SCHEMBL20063890 0.88 KDM1A (0.45) KDM1AMAOBMAOAGAAHDAC4
SCHEMBL20063765 0.88 SCN9A (0.48) SCN9AKDM1AMAOB
SCHEMBL20063852 0.88 SCN9A (0.48) SCN9AKDM1AMAOB
SCHEMBL20063766 0.88 SCN9A (0.48) SCN9AKDM1AMAOB
SCHEMBL20072906 0.88 SCN9A (0.48) SCN9AKDM1AMAOB
SCHEMBL20063893 0.86 KDM1A (0.55) SCN9AKDM1AMAOBMAOA
SCHEMBL20063862 0.83 KDM1A (0.48) SCN9AKDM1AMAOBMAOA
SCHEMBL20063871 0.83 KDM1A (0.48) SCN9AKDM1AMAOBMAOA

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 3 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-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 (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 1478/4885KDM1A 2698/4885MAOB 2190/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 SCN9A 1478/4885KDM1A 2698/4885MAOB 2190/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SCN9A 1501/4885KDM1A 2873/4885MAOB 2113/4885

“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.