SCHEMBL21538680

SCHEMBL21538680

CC(C)(C)OC(=O)N1CCN(c2ccc(C(O)O)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GPR119 Q8TDV5 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DTYMK P23919 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAMPT P43490 1/20 0.41
MAP4K4 O95819 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL82779 0.82 MAPT (0.50) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL25003025 0.81 MEN1 (0.50) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL63640 0.80 ALDH1A1 (0.48) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL65161 0.80 LMNA (0.48) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL63589 0.78 NR1H2 (0.48) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL24963003 0.78 GPR119 (0.53) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL29943980 0.75 ADORA1 (0.45) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL2274835 0.74 GBA1 (0.55) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL5573222 0.74 MAPT (0.76) ALDH1A1MAPTLMNAGPR119MEN1
SCHEMBL23305963 0.72 GPR119 (0.49) ALDH1A1MAPTLMNAGPR119MEN1

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-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 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-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ALDH1A1 922/4885MAPT 1881/4885LMNA 3505/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ALDH1A1 1155/4885MAPT 1345/4885LMNA 2856/4885

“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.