SCHEMBL11940108

SCHEMBL11940108

Cc1cc(N2CC(C)OC(C)C2)cc(C)c1NCc1ccc(N)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
HRH4 Q9H3N8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
WNT3A P56704 1/20 0.34
NTRK1 P04629 1/20 0.34
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.32
GHSR Q92847 1/20 0.32
HTR3A P46098 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
SCHEMBL11935953 1.00 MAPT (0.36) MAPTHRH4L3MBTL1POLBTRPV1
SCHEMBL11941267 0.86 MAPT (0.39) MAPTL3MBTL1POLBTRPV1ALDH1A1
SCHEMBL11935883 0.86 MAPT (0.39) MAPTL3MBTL1POLBTRPV1ALDH1A1
SCHEMBL13462817 0.81 MAPT (0.51) MAPTL3MBTL1POLBTRPV1ALDH1A1
SCHEMBL11935859 0.81 MAPT (0.51) MAPTL3MBTL1POLBTRPV1ALDH1A1
SCHEMBL13113501 0.81 MAPT (0.51) MAPTL3MBTL1POLBTRPV1ALDH1A1
SCHEMBL11935903 0.81 MAPT (0.51) MAPTL3MBTL1POLBTRPV1ALDH1A1
SCHEMBL17090555 0.79 L3MBTL1 (0.38) MAPTL3MBTL1TRPV1ALDH1A1GAA
SCHEMBL13566083 0.79 L3MBTL1 (0.38) MAPTL3MBTL1TRPV1ALDH1A1GAA
SCHEMBL11941265 0.79 L3MBTL1 (0.36) MAPTL3MBTL1TRPV1ALDH1A1GAA

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 5 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-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-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

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 MAPT 3293/4885HRH4 144/4885L3MBTL1 3168/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885HRH4 173/4885L3MBTL1 3162/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3442/4885HRH4 123/4885L3MBTL1 4229/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885HRH4 167/4885L3MBTL1 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.