SCHEMBL20958741

SCHEMBL20958741

O=C(O)N[C@@H]1CCCC[C@H]1N1CCCOC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.39
▸ PLA2G7 Q13093 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ CHRNA7 P36544 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL20958793 0.93 PDE7A (0.36) F10PLA2G7SIGMAR1NAAAPDE7A
SCHEMBL20959395 0.77 NPC1 (0.36) F10DPP4
SCHEMBL20959117 0.76 F10 (0.36) F10SIGMAR1DPP4CHRNA7
SCHEMBL20959020 0.76 CDA (0.38) F10ALDH1A1KMT2A
SCHEMBL20959070 0.75 F10 (0.38) F10SIGMAR1ALDH1A1MAPTKMT2A
SCHEMBL28376416 0.73 CTSK (0.40) F10
SCHEMBL20959484 0.72 PDE7A (0.38) SIGMAR1PDE7ACHRNA7ALDH1A1
Hydrochloric Acid SCHEMBL20959162 0.70 DPP4 (0.40) NAAADPP4PIK3CDALDH1A1KMT2A
SCHEMBL7879266 0.69 PIK3CD (0.38) F10NAAAPDE7APIK3CDALDH1A1
SCHEMBL379678 0.68 POLB (0.41) F10PLA2G7PDE7APIK3CDKMT2A

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 F10 4590/4885PLA2G7 3582/4885SIGMAR1 3233/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 F10 4461/4885PLA2G7 3678/4885SIGMAR1 3050/4885

“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.

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