SCHEMBL2132124

SCHEMBL2132124

CN1CCN(CCNC(=O)c2ccc(C(=O)NN(C(=O)OC(C)(C)C)c3ccc(-c4cccnc4)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
CD274 Q9NZQ7 3/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NAMPT P43490 1/20 0.45
WNT1 P04628 2/20 0.44
DYRK1A Q13627 2/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL2132109 0.79 CD274 (0.51) DRD2DRD3CD274HDAC2HDAC8
SCHEMBL14082498 0.77 WNT1 (0.64) DRD2DRD3CD274WNT1DYRK1A
SCHEMBL14082536 0.74 MKNK1 (0.60) DRD2DRD3CD274WNT1DYRK1A
SCHEMBL14082516 0.74 CD274 (0.77) CD274WNT1DYRK1A
SCHEMBL31387147 0.73 SMN1; SMN2 (0.63) DRD3HDAC2HDAC8HDAC6NAMPT
SCHEMBL2136572 0.73 HDAC1 (0.57) HDAC2WNT1DYRK1A
SCHEMBL20163145 0.73 HDAC2 (0.51) HDAC2WNT1DYRK1A
SCHEMBL6643148 0.73 MKNK1 (0.55) DRD2DRD3NAMPT
SCHEMBL14082489 0.68 ALDH1A1 (0.61) HDAC2HDAC8HDAC6NAMPTDYRK1A
SCHEMBL17886705 0.68 SMN1; SMN2 (0.77) DRD2DRD3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 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 (1 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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 DRD2 2863/4885DRD3 2747/4885CD274 3035/4885

“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.