Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114166

SCHEMBL10114166

SCHEMBL10114166

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCCCc2cccc(C#N)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.44
▸ USP30 Q70CQ3 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ MTNR1A P48039 2/20 0.40
▸ MTNR1B P49286 2/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL13565579 0.86 SCN8A (0.38) CHRM4NAMPTCNR1BRD4CCR3
SCHEMBL10113305 0.85 CYP2C19 (0.51) NPY5RMTNR1AMTNR1BCYP2C19ALDH1A1
SCHEMBL13203839 0.85 CYP2C19 (0.51) NPY5RMTNR1AMTNR1BCYP2C19ALDH1A1
SCHEMBL10114163 0.83 NPY5R (0.43) CHRM4NPY5RMTNR1AMTNR1BLMNA
SCHEMBL10114161 0.83 NPY5R (0.43) NPY5RMTNR1AMTNR1BCNR1CNR2
SCHEMBL10114165 0.78 NPY5R (0.46) NPY5RMTNR1AMTNR1BCNR1CNR2
SCHEMBL10114150 0.77 CYP2C19 (0.60) LMNAEPHX2CYP2C19ALDH1A1POLB
SCHEMBL10114184 0.75 KMT2A (0.52) LMNACYP2C19ALDH1A1POLB
SCHEMBL10114164 0.74 MTNR1A (0.43) MTNR1AMTNR1BCNR1CNR2CYP2C19
SCHEMBL10114147 0.73 NR1H4 (0.49) NPY5RLMNAEPHX2ALDH1A1

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 CHRM4 201/4885USP30 3635/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CHRM4 208/4885USP30 3882/4885NPY5R 1/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CHRM4 201/4885USP30 3555/4885NPY5R 1/4885

“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.