SCHEMBL2129556

SCHEMBL2129556

COC1CCN(c2cc(C)ccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
USP30 Q70CQ3 2/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
LRRK2 Q5S007 9/20 0.44
KARS1 Q15046 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
CHI3L1 P36222 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHIA Q9BZP6 1/20 0.41

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
SCHEMBL2128731 0.91 GRIN2D (0.48) PIK3CDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16132005 0.88 GRIN2D (0.47) PIK3CDUSP30GRIN2DGRIN3BGRIN1
SCHEMBL13279450 0.84 USP30 (0.47) USP30GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13466920 0.82 LRRK2 (0.47) USP30LRRK2
SCHEMBL16785555 0.80 GRIN2D (0.49) PIK3CDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17696424 0.80 GRIN2D (0.49) PIK3CDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16785554 0.80 GRIN2D (0.49) PIK3CDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18752414 0.80 GRIN2D (0.49) PIK3CDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17696421 0.80 GRIN2D (0.49) PIK3CDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27330164 0.80 GRIN2D (0.49) PIK3CDGRIN2DGRIN3BGRIN1GRIN2A

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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 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 (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-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 PIK3CD 1446/4885USP30 4301/4885GRIN2D 562/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 PIK3CD 189/4885USP30 787/4885GRIN2D 3715/4885

“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.