SCHEMBL256333

SCHEMBL256333

C[C@H](NC(=O)C1CC1)c1ccc(-c2cnn(C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.57
KIT P10721 3/20 0.54
ABL1 P00519 1/20 0.53
WNT1 P04628 1/20 0.53
GSK3B P49841 1/20 0.53
DYRK1A Q13627 1/20 0.53
ACACA Q13085 2/20 0.52
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
CLK1 P49759 5/20 0.51
RECQL P46063 1/20 0.50

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
SCHEMBL12551248 0.83 KIT (0.51) ACACBKITPOLB
SCHEMBL16622564 0.83 KIT (0.55) KIT
SCHEMBL12572304 0.82 KIT (0.50) ACACBKIT
SCHEMBL167420 0.81 ACACB (0.62) ACACBGAAHPGDSMN1; SMN2POLB
SCHEMBL1697493 0.80 ACACB (0.64) ACACBGSK3BACACAGAAHPGD
SCHEMBL12001220 0.78 HPGD (0.59) ACACBACACAGAAHPGDSMN1; SMN2
SCHEMBL18551295 0.76 GPR55 (0.56) CLK1
SCHEMBL12001455 0.75 ACACB (0.73) ACACBACACAGAAHPGDSMN1; SMN2
SCHEMBL12001383 0.75 ACACB (0.79) ACACBACACAGAAHPGDSMN1; SMN2
SCHEMBL15022588 0.74 ACACB (0.73) ACACBACACAGAAHPGDSMN1; SMN2

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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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 (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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885KIT 520/4885ABL1 1859/4885

“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.