SCHEMBL17500277

SCHEMBL17500277

O=C1CCCC2c3[nH]c4ccccc4c3CCN12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.59
▸ ADRA1D P25100 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ CHRNA7 P36544 1/20 0.52
▸ BRD3 Q15059 1/20 0.51
▸ PDE5A O76074 3/20 0.50
▸ PRKCB P05771 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL17520588 0.84 ADRA1D (0.52) GRIN2BADRA1DADRA1AADRA1BCHRNA7
SCHEMBL5740208 0.83 ADRA1D (0.51) GRIN2BADRA1DADRA1AADRA1BCHRNA7
SCHEMBL30716914 0.83 GRIN2B (0.42) GRIN2BADRA1ABRD3PDE5ACYP1A2
SCHEMBL11250553 0.80 ADRA1D (0.54) GRIN2BADRA1DADRA1AADRA1BCHRNA7
SCHEMBL8039623 0.80 SIRT1 (0.56) CYP1A2SIRT1MEN1KMT2AMAPT
SCHEMBL30124859 0.80 PARP1 (0.39) GRIN2BCHRNA7BRD3SIRT1MAPT
SCHEMBL15450575 0.80 BRD3 (0.52) GRIN2BADRA1DADRA1AADRA1BCHRNA7
SCHEMBL11253154 0.80 PDE5A (0.54) GRIN2BADRA1DADRA1AADRA1BCHRNA7
SCHEMBL30363084 0.78 CHRNA7 (0.67) GRIN2BADRA1DADRA1AADRA1BCHRNA7
SCHEMBL30363160 0.78 CHRNA7 (0.67) GRIN2BADRA1DADRA1AADRA1BCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 — — EP disclosed
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 — — EP disclosed
US-10106540-B2 HDAC6 inhibitors and their uses UNIVERSITÄT REGENSBURG (DE) 2018-10-23 — — US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 — — US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 — — US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 — — US disclosed
EP-3177621-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universität Regensburg (DE) 2017-06-14 — — EP disclosed
WO-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 — — WO disclosed
WO-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 — — WO 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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 GRIN2B 1949/4885ADRA1D 4833/4885ADRA1A 4645/4885
US-10106540-B2 HDAC6 inhibitors and their uses HDAC6, HDAC5, HDAC4 GRIN2B 2188/4885ADRA1D 4828/4885ADRA1A 4585/4885

“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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