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SCHEMBL10114182

SCHEMBL10114182

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCSc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.43
▸ GFER P55789 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ HPGD P15428 4/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ RECQL P46063 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
SCHEMBL13565685 0.84 MTNR1A (0.37) MTNR1AMTNR1BHPGDCYP2C19ALDH1A1
SCHEMBL13203837 0.81 MAPT (0.60) NPY5RHPGDCYP2C19ALDH1A1LMNA
SCHEMBL10113301 0.81 MAPT (0.60) NPY5RHPGDCYP2C19ALDH1A1LMNA
SCHEMBL10114192 0.80 NPY5R (0.41) NPY5RGFERMTNR1AMTNR1BALDH1A1
SCHEMBL10113217 0.79 NPY5R (0.54) NPY5RGFERHPGDALDH1A1LMNA
SCHEMBL10114150 0.79 CYP2C19 (0.60) CYP2C19ALDH1A1LMNAMEN1KMT2A
SCHEMBL13203763 0.79 NPY5R (0.54) NPY5RGFERHPGDALDH1A1LMNA
SCHEMBL10114466 0.79 NPY5R (0.54) NPY5RGFERHPGDALDH1A1LMNA
SCHEMBL14424747 0.79 NPY5R (0.54) NPY5RGFERHPGDALDH1A1LMNA
SCHEMBL10114197 0.78 GFER (0.43) NPY5RGFERLMNAMEN1KMT2A

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 NPY5R 1/4885GFER 1450/4885MTNR1A 191/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885GFER 1505/4885MTNR1A 177/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885GFER 1466/4885MTNR1A 205/4885

“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.