SCHEMBL11936071

SCHEMBL11936071

Cc1ccc2nc(-c3ccc(NCc4ccc(N)cc4)cc3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.74
MAPT P10636 6/20 0.74
KDM4E B2RXH2 5/20 0.74
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
GLA P06280 3/20 0.74
GAA P10253 3/20 0.74
SNCA P37840 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 2/20 0.59
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
CASP3 P42574 1/20 0.58
KMT2A Q03164 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
RORC P51449 2/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL10605601 0.88 MAPT (0.63) APPMAPTKDM4ENPC1RAB9A
SCHEMBL10600442 0.88 SMN1; SMN2 (0.67) APPMAPTKDM4ENPC1RAB9A
SCHEMBL492713 0.86 APP (1.00) APPMAPTKDM4ENPC1RAB9A
Ammonia Solution, Strong SCHEMBL7994519 0.85 APP (0.97) APPMAPTKDM4ENPC1RAB9A
SCHEMBL2628249 0.83 APP (0.94) APPMAPTKDM4ENPC1RAB9A
1,2-Dichloroethane SCHEMBL2195018 0.82 APP (0.86) APPMAPTKDM4ENPC1RAB9A
SCHEMBL29466163 0.82 MAPT (0.72) APPMAPTKDM4ENPC1RAB9A
SCHEMBL13903820 0.82 MAPT (0.72) APPMAPTKDM4ENPC1RAB9A
Ethylene SCHEMBL27827468 0.82 APP (0.91) APPMAPTKDM4ENPC1RAB9A
SCHEMBL11935904 0.82 RORC (0.61) APPMAPTKDM4ENPC1RAB9A

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 APP 1185/4885MAPT 3293/4885KDM4E 1765/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R APP 2275/4885MAPT 4441/4885KDM4E 1429/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R APP 883/4885MAPT 3442/4885KDM4E 2311/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R APP 2441/4885MAPT 4321/4885KDM4E 1334/4885

“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.