SCHEMBL11935236

SCHEMBL11935236

Cc1cc(NCC2CCC(N)CC2)ccc1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ KHK P50053 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ KDM1B Q8NB78 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
SCHEMBL25039295 1.00 KDM4E (0.35) KDM4ELMNAMAPTBACE1BACE2
SCHEMBL13438914 1.00 KDM4E (0.35) KDM4ELMNAMAPTBACE1BACE2
SCHEMBL13438915 0.87 KDM4E (0.41) KDM4ELMNAMAPTBACE1BACE2
SCHEMBL11935234 0.87 KDM4E (0.41) KDM4ELMNAMAPTBACE1BACE2
SCHEMBL30279032 0.87 KDM4E (0.41) KDM4ELMNAMAPTBACE1BACE2
SCHEMBL25039762 0.87 L3MBTL1 (0.38) KDM4ELMNAMAPTBACE1ALDH1A1
SCHEMBL25039940 0.87 KDM4E (0.41) KDM4ELMNAMAPTBACE1BACE2
SCHEMBL25040028 0.87 KDM4E (0.41) KDM4ELMNAMAPTBACE1BACE2
SCHEMBL11935240 0.87 L3MBTL1 (0.38) KDM4ELMNAMAPTBACE1ALDH1A1
SCHEMBL13438921 0.87 L3MBTL1 (0.38) KDM4ELMNAMAPTBACE1ALDH1A1

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-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

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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KDM4E 1334/4885LMNA 3184/4885MAPT 4321/4885

“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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