SCHEMBL10114161

SCHEMBL10114161

CCc1cccc(CCCNC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
MTNR1A P48039 8/20 0.43
MTNR1B P49286 7/20 0.43
CYP2C19 P33261 1/20 0.43
FKBP1A P62942 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 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
SCHEMBL10114163 0.90 NPY5R (0.43) NPY5RMTNR1AMTNR1BCYP2C19LMNA
SCHEMBL10113305 0.85 CYP2C19 (0.51) NPY5RMTNR1AMTNR1BCYP2C19FKBP1A
SCHEMBL13203839 0.85 CYP2C19 (0.51) NPY5RMTNR1AMTNR1BCYP2C19FKBP1A
SCHEMBL13565448 0.84 SMYD3 (0.38) MTNR1AMTNR1BFKBP1ALMNATP53
SCHEMBL10114166 0.83 CHRM4 (0.44) NPY5RMTNR1AMTNR1BCYP2C19LMNA
SCHEMBL10133142 0.82 SMN1; SMN2 (0.65) NPY5RLMNATP53SMN1; SMN2
SCHEMBL10114150 0.81 CYP2C19 (0.60) CYP2C19LMNAALDH1A1POLB
SCHEMBL10114184 0.81 KMT2A (0.52) CYP2C19LMNASMN1; SMN2ALDH1A1POLB
SCHEMBL10114155 0.78 ALDH1A1 (0.44) NPY5RMTNR1AMTNR1BCNR1CNR2
SCHEMBL10114185 0.78 CNR1 (0.48) NPY5RMTNR1AMTNR1BSMN1; SMN2CNR1

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 1/4885MTNR1A 191/4885MTNR1B 268/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MTNR1A 177/4885MTNR1B 270/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MTNR1A 205/4885MTNR1B 273/4885

“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.