SCHEMBL10133273

SCHEMBL10133273

CC1CN(c2cc(F)ccc2NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)CC(C)O1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.39
USP30 Q70CQ3 1/20 0.38
NAMPT P43490 1/20 0.38
PAK1 Q13153 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 1/20 0.37
WDR5 P61964 2/20 0.37
CCR8 P51685 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL10115569 1.00 OPRM1 (0.41) OPRM1HTTUSP30NAMPTPAK1
SCHEMBL10133524 0.88 OPRM1 (0.41) OPRM1HTTUSP30NAMPTPAK1
SCHEMBL10115882 0.88 OPRM1 (0.41) OPRM1HTTUSP30NAMPTPAK1
SCHEMBL10115564 0.88 USP30 (0.39) OPRM1HTTUSP30CCR8ALDH1A1
SCHEMBL12882369 0.86 CCR8 (0.38) OPRM1HTTUSP30KMT2ACCR8
SCHEMBL13204633 0.86 CCR8 (0.38) OPRM1HTTUSP30KMT2ACCR8
SCHEMBL10114346 0.86 NPY5R (0.46) SMN1; SMN2MAPTKMT2AWDR5USP2
SCHEMBL13204144 0.86 NPY5R (0.46) SMN1; SMN2MAPTKMT2AWDR5USP2
SCHEMBL10133395 0.86 NPY5R (0.46) SMN1; SMN2MAPTKMT2AWDR5USP2
SCHEMBL14424254 0.86 NPY5R (0.46) SMN1; SMN2MAPTKMT2AWDR5USP2

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 OPRM1 217/4885HTT 1904/4885USP30 3882/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R OPRM1 222/4885HTT 2095/4885USP30 3555/4885

“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.