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SCHEMBL10114092

SCHEMBL10114092

CC(C)S(=O)(=O)NC1CCC(C(=O)NCc2ccnc3ccccc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ NPY5R Q15761 2/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ USP2 O75604 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
SCHEMBL13203842 0.87 NPY5R (0.48) TACR1EPHX2NQO2DRD2DRD3
SCHEMBL10113308 0.87 NPY5R (0.48) TACR1EPHX2NQO2DRD2DRD3
SCHEMBL10114053 0.84 EPHX2 (0.54) EPHX2NQO2ALDH1A1HPGDMTNR1A
SCHEMBL13565089 0.83 NPY5R (0.55) TACR1NPY5RNPY1RXIAP
SCHEMBL10114096 0.83 EPHX2 (0.39) EPHX2NQO2ALDH1A1
SCHEMBL12882300 0.81 CA12 (0.51) EPHX2ALDH1A1HPGD
SCHEMBL10114056 0.78 MEN1 (0.50) ALDH1A1
SCHEMBL10114094 0.78 CYP1A2 (0.42) EPHX2NQO2NPY5RNPY1RALDH1A1
SCHEMBL10114034 0.78 EPHX1 (0.46) ALDH1A1HPGD
SCHEMBL10114093 0.76 ALDH1A1 (0.47) ALDH1A1HPGDUSP2

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 11 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-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-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 (3 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 TACR1 91/4885EPHX2 2158/4885NQO2 2004/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TACR1 84/4885EPHX2 2527/4885NQO2 1940/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TACR1 96/4885EPHX2 2306/4885NQO2 1964/4885

“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.