SCHEMBL20063853

SCHEMBL20063853

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
MAOB P27338 2/20 0.39
BRD4 O60885 3/20 0.35
CREBBP Q92793 3/20 0.35
MAOA P21397 1/20 0.34
SYK P43405 1/20 0.34
F2R P25116 1/20 0.34
PDE4B Q07343 2/20 0.33
RORC P51449 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
EZH2 Q15910 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
BCL2 P10415 1/20 0.32
BECN1 Q14457 1/20 0.32
EPHX2 P34913 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
DRD2 P14416 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
SCHEMBL20063855 1.00 KDM1A (0.39) KDM1AMAOBBRD4CREBBPMAOA
SCHEMBL21306631 0.87 KAT6A (0.37) KDM1AMAOBBRD4CREBBPMAOA
SCHEMBL20063873 0.86 CTSB (0.36) KDM1AMAOBBRD4CREBBPMAOA
SCHEMBL20063872 0.86 CTSB (0.36) KDM1AMAOBBRD4CREBBPMAOA
SCHEMBL20063894 0.86 USP30 (0.38) KDM1AMAOBBRD4CREBBPMAOA
SCHEMBL29482004 0.86 CTSB (0.36) KDM1AMAOBBRD4CREBBPMAOA
SCHEMBL20063870 0.84 RXFP1 (0.41) BRD4CREBBPRORC
SCHEMBL28487063 0.80 GSK3B (0.46) KDM1ACREBBPSYK
SCHEMBL20063891 0.80 KDM1A (0.37) KDM1AMAOBBRD4CREBBPMAOA
SCHEMBL20063883 0.80 KDM1A (0.37) KDM1AMAOBBRD4CREBBPMAOA

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 2190/4885BRD4 1800/4885
US-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 KDM1A 2698/4885MAOB 2190/4885BRD4 1800/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 KDM1A 2873/4885MAOB 2113/4885BRD4 1883/4885

“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.