SCHEMBL345400

SCHEMBL345400

CN1CCC(C)(C(=O)Nc2cc(-c3ccc4c(c3)CCC(C(=O)NO)C4)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
DYRK1A Q13627 9/20 0.41
WNT1 P04628 3/20 0.41
ABL1 P00519 1/20 0.40
FAAH O00519 2/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 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
SCHEMBL346726 0.91 GSK3B (0.41) GSK3BPIK3C3DYRK1AWNT1FAAH
SCHEMBL10197879 0.91 GSK3B (0.41) GSK3BPIK3C3ABL1FAAH
SCHEMBL346196 0.90 GSK3B (0.46) GSK3BPIK3C3FAAH
SCHEMBL434456 0.80 BRAF (0.46) FAAH
SCHEMBL436430 0.79 GHSR (0.42) FAAH
SCHEMBL346787 0.77 GRIA2 (0.40) ABL1FAAH
SCHEMBL355886 0.76 HDAC8 (0.42) DYRK1A
SCHEMBL460073 0.76 HDAC1 (0.41) FAAH
SCHEMBL435890 0.75 FAAH (0.37) GSK3BFAAH
SCHEMBL461542 0.74 FAAH (0.49) ABL1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 GSK3B 81/4885PIK3C3 2088/4885DYRK1A 2025/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 GSK3B 491/4885PIK3C3 2552/4885DYRK1A 2205/4885

“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.