SCHEMBL11934835

SCHEMBL11934835

NC1CCC(CNCCSc2cc(C(F)(F)F)nc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
TLR7 Q9NYK1 2/20 0.42
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRB2 P07550 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
IGF1R P08069 3/20 0.34
IDH1 O75874 1/20 0.34
CRHR1 P34998 1/20 0.33
APP P05067 1/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
MCHR1 Q99705 1/20 0.33
ADAM17 P78536 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL13438711 1.00 MAPT (0.56) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL13564759 0.82 MAPT (0.58) MAPTTLR7KMT2AMAPK1DRD2
SCHEMBL17090301 0.82 MAPT (0.58) MAPTTLR7KMT2AMAPK1DRD2
SCHEMBL13565000 0.82 MAPT (0.58) MAPTTLR7ADORA2AADORA1CRHR1
SCHEMBL11934977 0.77 MAPT (0.60) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL13940133 0.77 MAPT (0.72) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL9999685 0.76 MAPT (0.64) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL10133723 0.76 MAPT (0.68) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL7693307 0.74 MAPT (0.68) MAPTTLR7ADORA2AADORA1KMT2A
SCHEMBL13602573 0.70 MAPT (0.63) MAPTTLR7ADORA2AADORA1KMT2A

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 8 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-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
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 3293/4885TLR7 404/4885ADORA2A 517/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4441/4885TLR7 398/4885ADORA2A 507/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPT 3442/4885TLR7 457/4885ADORA2A 360/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R MAPT 4321/4885TLR7 416/4885ADORA2A 469/4885

“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.