SCHEMBL10133428

SCHEMBL10133428

CC1CN(c2ccc(NC(=O)NCCCNS(=O)(=O)C(C)(C)C)cc2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MCHR1 Q99705 2/20 0.41
NAMPT P43490 2/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CA2 P00918 5/20 0.39
CA1 P00915 4/20 0.39
TP53 P04637 2/20 0.38
CA7 P43166 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL10114424 1.00 MAPT (0.48) MAPTMCHR1NAMPTCYP2C9SMN1; SMN2
SCHEMBL13972710 0.87 MAPT (0.49) MAPTSMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL12881987 0.86 MAPT (0.48) MAPTMCHR1NAMPTCYP2C9SMN1; SMN2
SCHEMBL10113622 0.86 MAPT (0.48) MAPTTP53KDM4EALDH1A1
SCHEMBL13204340 0.86 MAPT (0.48) MAPTMCHR1NAMPTCYP2C9SMN1; SMN2
SCHEMBL10113454 0.86 MAPT (0.48) MAPTTP53KDM4EALDH1A1
SCHEMBL10115047 0.86 MAPT (0.48) MAPTTP53KDM4EALDH1A1
SCHEMBL10115044 0.84 MAPT (0.46) MAPTNAMPTCYP2C9TRPV1CA2
SCHEMBL10133227 0.84 MAPT (0.46) MAPTNAMPTCYP2C9TRPV1CA2
SCHEMBL13204501 0.84 MAPT (0.46) MAPTNAMPTCYP2C9TRPV1CA2

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 4 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885MCHR1 48/4885NAMPT 2350/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885MCHR1 56/4885NAMPT 2832/4885

“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.