SCHEMBL17323928

SCHEMBL17323928

CC(C)OCC(C)(C)C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.38
FKBP1A P62942 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL12308627 0.81 SMN1; SMN2 (0.45) SMN1; SMN2USP2TSHRCYP3A4CYP2C19
SCHEMBL17327617 0.81 SMN1; SMN2 (0.47) SMN1; SMN2USP2TSHRL3MBTL1RECQL
SCHEMBL12448233 0.81 SMN1; SMN2 (0.37) SMN1; SMN2USP2TSHRCYP3A4CYP2C19
SCHEMBL8489683 0.75 SMN1; SMN2 (0.49) SMN1; SMN2USP2TSHRL3MBTL1MEN1
SCHEMBL8489677 0.75 SMN1; SMN2 (0.49) SMN1; SMN2USP2TSHRPKML3MBTL1
SCHEMBL8749065 0.75 SMN1; SMN2 (0.49) SMN1; SMN2USP2TSHRL3MBTL1RECQL
SCHEMBL7604321 0.75 SMN1; SMN2 (0.49) SMN1; SMN2USP2TSHRL3MBTL1RECQL
SCHEMBL29317762 0.75 SMN1; SMN2 (0.47) SMN1; SMN2USP2TSHRCYP3A4CYP2C19
SCHEMBL8749067 0.74 TSHR (0.52) SMN1; SMN2USP2TSHRPKMRECQL
SCHEMBL8749267 0.74 TSHR (0.52) SMN1; SMN2USP2TSHRPKMRECQL

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK SMN1; SMN2 4641/4885USP2 2263/4885TSHR 4513/4885

“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.