SCHEMBL10113816

SCHEMBL10113816

CC(C)S(=O)(=O)NCCCCC(=O)NCCSc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
TLR7 Q9NYK1 1/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ADRB2 P07550 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
RECQL P46063 1/20 0.36
STAT3 P40763 1/20 0.35

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
SCHEMBL10113543 0.89 MAPT (0.61) MAPTTLR7DRD2DRD3RAB9A
SCHEMBL13565506 0.87 MAPT (0.66) MAPTTLR7KDM4ESMN1; SMN2NPSR1
SCHEMBL10114047 0.78 MAPT (0.56) MAPTTLR7DRD2DRD3TP53
SCHEMBL13565631 0.75 MAPT (0.67) MAPTTLR7DRD2DRD3NPSR1
SCHEMBL13565000 0.74 MAPT (0.58) MAPTTLR7ADORA2AADORA1
SCHEMBL13940133 0.72 MAPT (0.72) MAPTTLR7ADRB2HPGDALDH1A1
SCHEMBL10113805 0.72 ALDH1A1 (0.48) MAPTRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL10133723 0.72 MAPT (0.68) MAPTTLR7DRD2DRD3NPSR1
SCHEMBL7614346 0.72 MAPT (0.57) MAPTTLR7DRD2DRD3SMN1; SMN2
SCHEMBL10113858 0.71 ALDH1A1 (0.55) RAB9AKDM4ESMN1; SMN2CYP1A2CYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R MAPT 3602/4885TLR7 217/4885DRD2 658/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885TLR7 196/4885DRD2 560/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885TLR7 221/4885DRD2 643/4885

“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.