SCHEMBL10114977

SCHEMBL10114977

C[C@@H]1CN(c2cccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)c2)C[C@H](C)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
HTR1A P08908 8/20 0.45
ALDH1A1 P00352 2/20 0.43
HDAC6 Q9UBN7 2/20 0.42
KCNH2 Q12809 3/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
HTR7 P34969 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL10134444 1.00 GAA (0.48) GAAUSP2HTR1AALDH1A1HDAC6
SCHEMBL10113622 0.88 MAPT (0.48) GAAUSP2ALDH1A1HDAC6TP53
SCHEMBL10115047 0.88 MAPT (0.48) GAAUSP2ALDH1A1HDAC6TP53
SCHEMBL10113454 0.88 MAPT (0.48) GAAUSP2ALDH1A1HDAC6TP53
SCHEMBL10115227 0.87 HTR1A (0.56) GAAUSP2HTR1AALDH1A1HDAC6
SCHEMBL10134139 0.87 HTR1A (0.56) GAAUSP2HTR1AALDH1A1HDAC6
SCHEMBL13972710 0.85 MAPT (0.49) GAAUSP2ALDH1A1TP53ALOX15
SCHEMBL13565733 0.85 GHSR (0.39) GAAUSP2HTR1AKCNH2HTR7
SCHEMBL17090394 0.85 GHSR (0.39) GAAUSP2HTR1AKCNH2HTR7
SCHEMBL10134127 0.85 HSD17B10 (0.50) GAAUSP2ALDH1A1HDAC6KMT2A

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 7 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-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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R GAA 3448/4885USP2 3137/4885HTR1A 302/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885USP2 3680/4885HTR1A 300/4885

“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.