SCHEMBL3708518

SCHEMBL3708518

CC(Br)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
GPR88 Q9GZN0 1/20 0.33
PDK2 Q15119 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CA14 Q9ULX7 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
GBA1 P04062 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL16941095 0.85 CTSK (0.39) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3711368 0.84 CTSK (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25113381 0.82 CTSK (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21610069 0.82 CTSK (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2917271 0.82 HDAC6 (0.39) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18431705 0.82 CTSK (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14547678 0.82 CTSK (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22766361 0.81 HDAC6 (0.34) CTSKHDAC6CA14HDAC1HDAC2
SCHEMBL21574215 0.81 CTSK (0.40) CTSKCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19646813 0.81 CHRNB2 (0.38) CTSKCHRNB2CHRNA4CHRNB4CHRNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20230233546-A1 METHODS OF TREATING CANCER KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
EP-2391603-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
WO-2010086251-A1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO 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-20230233546-A1 METHODS OF TREATING CANCER TP53, MDM2, MCL1 CTSK 358/4885CHRNB2 4813/4885CHRNA4 4840/4885
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 CTSK 732/4885CHRNB2 4571/4885CHRNA4 4736/4885

“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.