SCHEMBL20063333

SCHEMBL20063333

CC(C)CC(=O)N1CC(N(C)C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MEN1 O00255 2/20 0.35
ATM Q13315 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL20095970 0.85 SMN1; SMN2 (0.48) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL24127287 0.77 KMT2A (0.40) SMN1; SMN2KMT2AGAAMEN1
SCHEMBL20095899 0.77 SMN1; SMN2 (0.41) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL12414833 0.76 JAK2 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL12414834 0.76 JAK2 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL12304216 0.76 JAK2 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1JAK2
SCHEMBL22802728 0.76 SMN1; SMN2 (0.50) SMN1; SMN2POLBL3MBTL1NPSR1ALDH1A1
SCHEMBL23324607 0.76 ACKR3 (0.33)
SCHEMBL15490020 0.75 SMN1; SMN2 (0.53) SMN1; SMN2POLBL3MBTL1NPSR1ALDH1A1
SCHEMBL24974012 0.75 SMN1; SMN2 (0.59) SMN1; SMN2POLBL3MBTL1NPSR1ALDH1A1

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 2 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-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 (2 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 SMN1; SMN2 1253/4885POLB 4679/4885L3MBTL1 3341/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 SMN1; SMN2 1229/4885POLB 4677/4885L3MBTL1 3373/4885

“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.