SCHEMBL10153657

SCHEMBL10153657

COCCN[C@H]1CC[C@H](CN)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CCNK O75909 5/20 0.34
CDK9 P50750 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NCF1 P14598 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
JAK1 P23458 1/20 0.31
SMYD3 Q9H7B4 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
SCHEMBL4761390 0.85
Hydrochloric Acid SCHEMBL1461782 0.83
Hydrochloric Acid SCHEMBL29134334 0.81 KDM4E (0.42) KDM4EALDH1A1IRAK4CCNKCDK9
SCHEMBL6122857 0.80 KDM4E (0.39) KDM4EALDH1A1IRAK4CCNKCDK9
SCHEMBL12466130 0.80 KDM4E (0.39) KDM4EALDH1A1IRAK4CCNKCDK9
Hydrochloric Acid SCHEMBL28735985 0.78 KDM4E (0.38) KDM4EALDH1A1IRAK4CCNKCDK9
Hydrochloric Acid SCHEMBL28735986 0.78 KDM4E (0.38) KDM4EALDH1A1IRAK4CCNKCDK9
SCHEMBL24429365 0.78 ALDH1A1 (0.46) KDM4EALDH1A1IRAK4CCNKCDK9
SCHEMBL15384122 0.78 ALDH1A1 (0.46) KDM4EALDH1A1IRAK4CCNKCDK9
SCHEMBL13450092 0.78 ALDH1A1 (0.46) KDM4EALDH1A1IRAK4CCNKCDK9

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA KDM4E 3844/4885ALDH1A1 3496/4885IRAK4 300/4885

“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.