SCHEMBL19287734

SCHEMBL19287734

CC(=O)N1CCC(Nc2cc(C(C)C)ccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.51
NOS2 P35228 8/20 0.48
NOS1 P29475 7/20 0.48
NOS3 P29474 4/20 0.48
PRMT5 O14744 3/20 0.45
WDR77 Q9BQA1 2/20 0.44
KMT2A Q03164 1/20 0.43
MAP3K12 Q12852 1/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42
CCNT1 O60563 2/20 0.41
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
SYK P43405 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
SCHEMBL17573027 0.93 NOS2 (0.53) KDM5ANOS2NOS1NOS3PRMT5
SCHEMBL23894781 0.90 PRMT5 (0.42) KDM5ANOS2NOS1NOS3PRMT5
SCHEMBL15829855 0.84 NOS2 (0.67) KDM5ANOS2NOS1NOS3PRMT5
SCHEMBL19171566 0.83 NOS2 (0.51) KDM5ANOS2NOS1NOS3
SCHEMBL19356328 0.83 NOS2 (0.60) KDM5ANOS2NOS1NOS3PRMT5
SCHEMBL15834091 0.82 NOS2 (0.56) KDM5ANOS2NOS1NOS3PRMT5
SCHEMBL19606453 0.82 HRH4 (0.48) KDM5ANOS2NOS1NOS3MAP3K12
SCHEMBL15833934 0.82 MAPK10 (0.42) KDM5ANOS2NOS1NOS3MAP3K12
SCHEMBL19170614 0.81 NOS2 (0.52) KDM5ANOS2NOS1NOS3PRMT5
SCHEMBL18466543 0.81 SYK (0.49) KDM5ANOS2NOS1NOS3PRMT5

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-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 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-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM5A 11/4885NOS2 454/4885NOS1 463/4885

“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.