Sugi Predict

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SCHEMBL278192

SCHEMBL278192

C[C@@H]1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ NPY5R Q15761 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ NAMPT P43490 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.39

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
SCHEMBL10114327 1.00 MAPT (0.50) MAPTNPY5RALDH1A1EPHX2NAMPT
SCHEMBL10114387 1.00 MAPT (0.50) MAPTNPY5RALDH1A1EPHX2NAMPT
SCHEMBL13144983 1.00 MAPT (0.50) MAPTNPY5RALDH1A1EPHX2NAMPT
SCHEMBL13204166 1.00 MAPT (0.50) MAPTNPY5RALDH1A1EPHX2NAMPT
SCHEMBL10133980 1.00 MAPT (0.50) MAPTNPY5RALDH1A1EPHX2NAMPT
SCHEMBL11936567 1.00 MAPT (0.50) MAPTNPY5RALDH1A1EPHX2NAMPT
SCHEMBL13204366 0.91 MAPT (0.46) MAPTNPY5RALDH1A1EPHX2SMN1; SMN2
SCHEMBL10114837 0.91 MAPT (0.46) MAPTNPY5RALDH1A1EPHX2SMN1; SMN2
SCHEMBL14424363 0.91 MAPT (0.46) MAPTNPY5RALDH1A1EPHX2SMN1; SMN2
SCHEMBL10134488 0.91 MAPT (0.46) MAPTNPY5RALDH1A1EPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133513-B2 Solid preparation having improved solubility SHIONOGI & CO., LTD. (JP) 2012-03-13 — — US disclosed
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-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY SHIONOGI & CO., LTD. (JP) 2009-04-23 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 3602/4885NPY5R 1/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885NPY5R 1/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885NPY5R 1/4885ALDH1A1 4517/4885
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY NUDT1, PDE7A, SLC7A1 MAPT 235/4885NPY5R 3386/4885ALDH1A1 2054/4885

“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.