SCHEMBL20959484

SCHEMBL20959484

CN1CCN([C@@H]2CCCC[C@H]2NC(=O)O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.38
▸ JAK3 P52333 2/20 0.32
▸ LCK P06239 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ MCOLN2 Q8IZK6 2/20 0.32
▸ MCOLN1 Q9GZU1 2/20 0.32
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.30
▸ EGFR P00533 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
SCHEMBL28375938 0.77 CTSB (0.48) ALDH1A1
SCHEMBL20959395 0.75 NPC1 (0.36) —
SCHEMBL21222135 0.74 PDE7A (0.50) PDE7AJAK3LCKBTKKDM4E
SCHEMBL20959020 0.74 CDA (0.38) ALDH1A1NPY5R
SCHEMBL20959117 0.74 F10 (0.36) CHRNA7SIGMAR1
SCHEMBL20958793 0.73 PDE7A (0.36) PDE7ANPY5RCHRNA7SIGMAR1
SCHEMBL20958741 0.72 F10 (0.39) PDE7AALDH1A1CHRNA7SIGMAR1
SCHEMBL20959070 0.71 F10 (0.38) ALDH1A1SIGMAR1
SCHEMBL20959491 0.70 PDE7A (0.32) PDE7AALDH1A1
SCHEMBL16764472 0.70 JAK3 (0.34) JAK3LCKBTKALDH1A1EGFR

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-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 — — US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 — — 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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 PDE7A 3038/4885JAK3 1165/4885LCK 1518/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 PDE7A 2936/4885JAK3 1533/4885LCK 1339/4885

“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