SCHEMBL19170614

SCHEMBL19170614

CC(C)CC(=O)N1CCC(Nc2cc(C(C)C)ccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 8/20 0.52
NOS1 P29475 7/20 0.52
NOS3 P29474 4/20 0.52
PTPN1 P18031 1/20 0.44
EPHX2 P34913 2/20 0.43
USP7 Q93009 1/20 0.42
KDM5A P29375 1/20 0.42
PRMT5 O14744 2/20 0.42
MAP3K12 Q12852 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
ALDH1A1 P00352 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL15834091 0.90 NOS2 (0.56) NOS2NOS1NOS3EPHX2KDM5A
SCHEMBL19633406 0.88 MAP3K12 (0.41) NOS2NOS1NOS3USP7KDM5A
SCHEMBL21566710 0.88 NOS2 (0.54) NOS2NOS1NOS3EPHX2KDM5A
SCHEMBL17303798 0.87 NOS2 (0.68) NOS2NOS1NOS3PTPN1EPHX2
SCHEMBL17573027 0.86 NOS2 (0.53) NOS2NOS1NOS3KDM5APRMT5
SCHEMBL17300787 0.84 NOS2 (0.50) NOS2NOS1NOS3PTPN1EPHX2
SCHEMBL19356328 0.84 NOS2 (0.60) NOS2NOS1NOS3KDM5APRMT5
SCHEMBL19171566 0.84 NOS2 (0.51) NOS2NOS1NOS3KDM5A
SCHEMBL19287734 0.81 KDM5A (0.51) NOS2NOS1NOS3KDM5APRMT5
SCHEMBL19633748 0.81 NOS2 (0.47) NOS2NOS1NOS3PTPN1EPHX2

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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 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-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 NOS2 773/4885NOS1 580/4885NOS3 816/4885

“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.