SCHEMBL21064085

SCHEMBL21064085

CC(C)(C)CN1CCC(Nc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ NAMPT P43490 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL18361351 0.93 HDAC2 (0.43) ALDH1A1NAMPTNPC1MAPTMAPK1
SCHEMBL18361285 0.89 DRD2 (0.51) ALDH1A1NAMPTNPC1MAPTMAPK1
SCHEMBL20592161 0.88 SMN1; SMN2 (0.45) MAPTMAPK1LTA4HPRMT5HDAC1
SCHEMBL18361299 0.85 HDAC1 (0.53) HDAC1
Hydrochloric Acid SCHEMBL20592225 0.84 HDAC1 (0.52) HDAC1
SCHEMBL18361253 0.79 HDAC1 (0.51) HDAC1
SCHEMBL18361390 0.79 HDAC1 (0.51) HDAC1
SCHEMBL20592170 0.79 HDAC1 (0.51) HDAC1
SCHEMBL18361386 0.79 DRD2 (0.42) ALDH1A1NAMPTNPC1MAPTMAPK1
Hydrochloric Acid SCHEMBL20592216 0.78 HDAC1 (0.50) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 — — US disclosed
US-10851058-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-01 — — US disclosed
US-10308608-B2 Histone deacetylase inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-06-04 — — 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-10851058-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 ALDH1A1 1150/4885NAMPT 263/4885NPC1 765/4885
US-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 ALDH1A1 1150/4885NAMPT 263/4885NPC1 765/4885
US-10308608-B2 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 ALDH1A1 1150/4885NAMPT 263/4885NPC1 765/4885

“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.

Send feedback