Sugi Predict

Sugi Predict / Compounds / SCHEMBL20063893

SCHEMBL20063893

SCHEMBL20063893

CN(C)[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.55
▸ MAOB P27338 2/20 0.55
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAOA P21397 2/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ HTRA1 Q92743 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
SCHEMBL21838607 0.92 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL20063871 0.92 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL20063862 0.92 KDM1A (0.48) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL20063890 0.89 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL20063884 0.89 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL21306752 0.88 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL21306642 0.88 KDM1A (0.45) KDM1AMAOBKMT2AL3MBTL1MAOA
SCHEMBL21307027 0.87 KDM1A (0.44) KDM1AMAOBSCN9AHCRTR2
SCHEMBL20063915 0.87 KDM1A (0.44) KDM1AMAOBMAOASCN9A
SCHEMBL20073175 0.86 SCN9A (0.42) KDM1AMAOBMAOASCN9A

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 5 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-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 2190/4885KMT2A 3719/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 KDM1A 2698/4885MAOB 2190/4885KMT2A 3719/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KDM1A 2873/4885MAOB 2113/4885KMT2A 3753/4885

“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.