SCHEMBL11935533

SCHEMBL11935533

CC1CC(Oc2ccc(NCC3CCC(N)CC3)cc2)CC(C)O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
BACE1 P56817 2/20 0.36
ACHE P22303 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KDM1A O60341 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KMT2A Q03164 2/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL13439276 1.00 KDM4E (0.37) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL11935370 0.81 KDM4E (0.39) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL13439080 0.81 KDM4E (0.39) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL13439233 0.80 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL11935488 0.80 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL13565204 0.79 NPY5R (0.34) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL17090430 0.79 NPY5R (0.34) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL11935514 0.79 KDM4E (0.38) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL13439257 0.79 KDM4E (0.38) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL13439085 0.77 ACHE (0.56) KDM4EALDH1A1GAAMAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R KDM4E 1765/4885ALDH1A1 3842/4885GAA 4212/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KDM4E 1334/4885ALDH1A1 3361/4885GAA 2277/4885

“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.