SCHEMBL11935901

SCHEMBL11935901

CCOCCN(CCOCC)c1ccc(NCc2ccc(N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MAPT P10636 7/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
ALDH1A1 P00352 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PSMD14 O00487 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
GAA P10253 4/20 0.38
ALOX15 P16050 3/20 0.38

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
SCHEMBL13972790 0.84 CYP3A4 (0.55) MAPTL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL3058855 0.81 CNR2 (0.71) CNR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL13565380 0.79 CNR2 (0.42) CNR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL13565368 0.79 CNR2 (0.42) CNR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL2988963 0.79 CNR2 (0.48) CNR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL13958424 0.78 TDP1 (0.48) MAPTL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL10981910 0.78 ALDH1A1 (0.62) MAPTL3MBTL1ALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL2993162 0.77 CNR2 (0.47) CNR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL9185892 0.75 ALDH1A1 (0.58) MAPTL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL2990622 0.75 CA1 (0.65) CNR2MAPTL3MBTL1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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 CNR2 39/4885MAPT 3293/4885L3MBTL1 3168/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CNR2 59/4885MAPT 4441/4885L3MBTL1 3162/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CNR2 52/4885MAPT 3442/4885L3MBTL1 4229/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CNR2 67/4885MAPT 4321/4885L3MBTL1 3233/4885

“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.