SCHEMBL11935976

SCHEMBL11935976

Cc1c(NCc2ccc(N)cc2)ccc2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MITF O75030 1/20 0.35
PDE4A P27815 9/20 0.33
PDE4B Q07343 9/20 0.33
PDE4C Q08493 9/20 0.33
PDE4D Q08499 9/20 0.33
PDE3B Q13370 6/20 0.33
PDE3A Q14432 6/20 0.33
HTT P42858 1/20 0.33
SCD O00767 2/20 0.32
ESR1 P03372 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
ELANE P08246 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
SCHEMBL11935971 0.78 MITF (0.34) NPC1RAB9AMITFPDE4APDE4B
SCHEMBL13565902 0.76 BRD4 (0.35)
SCHEMBL11935958 0.75 P2RX7 (0.38) NPC1RAB9AMITFPDE4APDE4B
SCHEMBL11935974 0.75 MITF (0.34) NPC1RAB9AMITFHTTSCD
SCHEMBL11936108 0.73 NPC1 (0.38) NPC1RAB9APDE4APDE4BPDE4C
SCHEMBL11935633 0.71 KAT2B (0.35)
SCHEMBL13105746 0.71 HTT (0.34) HTTADORA2AADORA1
SCHEMBL11935443 0.69 PTGER4 (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL13439175 0.69 PTGER4 (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7560152 0.68 MAPT (0.47) MITFHTT

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 NPC1 2907/4885RAB9A 2628/4885MITF 711/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R NPC1 3103/4885RAB9A 3084/4885MITF 779/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPC1 3796/4885RAB9A 1980/4885MITF 1056/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R NPC1 2946/4885RAB9A 2804/4885MITF 829/4885

“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.