SCHEMBL10114673

SCHEMBL10114673

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C3CCOCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.51
HRH3 Q9Y5N1 1/20 0.46
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MCHR1 Q99705 2/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.42
LIPE Q05469 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TYK2 P29597 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL13204256 1.00 NPY5R (0.51) NPY5RHRH3NAMPTALDH1A1MCHR1
SCHEMBL10114583 0.90 SMN1; SMN2 (0.52) NPY5RNAMPTLMNASMN1; SMN2USP2
SCHEMBL14424354 0.90 SMN1; SMN2 (0.52) NPY5RNAMPTLMNASMN1; SMN2USP2
SCHEMBL13204253 0.87 NPY5R (0.48) NPY5RALDH1A1LMNAGLARAB9A
SCHEMBL10114732 0.87 NPY5R (0.48) NPY5RALDH1A1LMNAGLARAB9A
SCHEMBL13203695 0.85 ALDH1A1 (0.63) NPY5RALDH1A1EPHX2LMNALIPE
SCHEMBL10113057 0.85 ALDH1A1 (0.63) NPY5RALDH1A1EPHX2LMNALIPE
SCHEMBL13203694 0.85 ALDH1A1 (0.63) NPY5RALDH1A1EPHX2LMNALIPE
SCHEMBL10114594 0.85 NPY5R (0.48) NPY5RNAMPTALDH1A1LMNALIPE
SCHEMBL14424349 0.85 NPY5R (0.48) NPY5RNAMPTALDH1A1LMNALIPE

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 5 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
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 NPY5R 1/4885HRH3 458/4885NAMPT 2350/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885HRH3 421/4885NAMPT 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.