SCHEMBL11936083

SCHEMBL11936083

Nc1ccc(CNc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.68
MAPT P10636 13/20 0.60
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 2/20 0.60
CASP1 P29466 2/20 0.60
HPGD P15428 2/20 0.60
MAPK1 P28482 2/20 0.60
USP2 O75604 1/20 0.60
THRB P10828 1/20 0.60
ALOX12 P18054 1/20 0.60
CASP7 P55210 1/20 0.60
HBB P68871 1/20 0.60
NPSR1 Q6W5P4 3/20 0.56
HSD17B10 Q99714 2/20 0.56
PABPC1 P11940 1/20 0.56

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
SCHEMBL11935927 0.91 MAPT (0.73) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL5333927 0.84 GAA (0.72) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2979012 0.81 MAPT (0.64) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL17131874 0.81 GAA (1.00) GAAMAPTALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2989075 0.80 MAPT (0.63) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11935973 0.79 MAPT (0.51) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL1008711 0.78 MAPT (0.55) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11942247 0.77 GAA (0.59) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL10057818 0.77 INSR (0.77) GAAMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL17182464 0.76 MAPT (0.53) GAAMAPTALDH1A1KDM4ESMN1; SMN2

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 7 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-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 (3 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 GAA 4212/4885MAPT 3293/4885ALDH1A1 3842/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GAA 4105/4885MAPT 3442/4885ALDH1A1 4013/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GAA 2277/4885MAPT 4321/4885ALDH1A1 3361/4885

“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.