SCHEMBL20959491

SCHEMBL20959491

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL28380647 0.73 SLC18A3 (0.34) PDE7A
SCHEMBL23714592 0.72 MAPK1 (0.43) PDE7AMAPK1
SCHEMBL10801442 0.72 MAPK1 (0.39) PDE7AMAPK1
SCHEMBL21222493 0.72 MAPK1 (0.39) PDE7AMAPK1
SCHEMBL10801437 0.72 MAPK1 (0.39) PDE7AMAPK1
SCHEMBL13455119 0.71 NPY5R (0.41) PDE7AKMT2AMAPK1
Hydrochloric Acid SCHEMBL10811192 0.70 MAPK1 (0.38) PDE7AMAPK1
Hydrochloric Acid SCHEMBL11148872 0.70 MAPK1 (0.38) PDE7AMAPK1
SCHEMBL20959484 0.70 PDE7A (0.38) PDE7AALDH1A1
SCHEMBL16764537 0.70 — —

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
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 — — CN disclosed
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 3038/4885THRB 3219/4885MEN1 4110/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 PDE7A 2936/4885THRB 3549/4885MEN1 3135/4885

“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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