SCHEMBL20889904

SCHEMBL20889904

CCN(Cc1cc(C(C)C)ccn1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ KCNE1 P15382 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ ACHE P22303 3/20 0.31
▸ BCHE P06276 2/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ AURKA O14965 1/20 0.31
▸ DAPK3 O43293 1/20 0.31

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
SCHEMBL20890554 0.83 KDM4E (0.42) KDM4ETSHRKDRHSP90AA1HSP90AB1
SCHEMBL20909891 0.82 UHRF1 (0.38) KDM4ECYP2D6KCNE1KCNA5OPRK1
SCHEMBL20892138 0.82 NOS3 (0.44) KDM4ETSHRCYP2D6KCNE1KCNA5
SCHEMBL16477887 0.80 RXRA (0.37) KDM4ECYP2D6ALDH1A1RXRAGRIN1
SCHEMBL11994370 0.77 CYP1A2 (0.46) KDM4ETSHRKDRALDH1A1RXRA
SCHEMBL12088818 0.75 SMN1; SMN2 (0.52) KDM4ETSHRCYP2D6KCNE1KCNA5
SCHEMBL12088948 0.74 CYP2D6 (0.33) CYP2D6KCNE1KCNA5OPRK1
SCHEMBL13533992 0.74 KDM4E (0.50) KDM4ETSHRALDH1A1RXRAGRIN1
SCHEMBL21705891 0.72 RXRA (0.35) KDRALDH1A1RXRAGRIN1GRIN2B
SCHEMBL3507581 0.72 TLR9 (0.38) KDM4ETSHRKDRALDH1A1RXRA

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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 KDM4E 795/4885TSHR 4456/4885CYP2D6 2748/4885

“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.

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