SCHEMBL10116083

SCHEMBL10116083

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc3c(c2)CC(F)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 14/20 0.48
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.40
NAMPT P43490 1/20 0.40
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 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
SCHEMBL10115981 0.86 NPC1 (0.47) GRIA2LMNAKMT2ACYP2C19CYP1A2
SCHEMBL10115736 0.85 LMNA (0.44) LMNAKMT2ANAMPTCYP2C19NPSR1
SCHEMBL10116051 0.84 CACNA1H (0.50) LMNAKMT2A
SCHEMBL10114939 0.83 GRIA2 (0.53) GRIA2LMNAKMT2ACYP2C19CYP1A2
SCHEMBL14424196 0.83 GRIA2 (0.53) GRIA2LMNAKMT2ACYP2C19CYP1A2
SCHEMBL10116069 0.82 LMNA (0.45) GRIA2LMNAKMT2ANAMPTCYP2C19
SCHEMBL10114601 0.82 KMT2A (0.59) KMT2ACYP2C19CYP1A2
SCHEMBL10116170 0.82 LMNA (0.46) LMNAKMT2ANPSR1
SCHEMBL10116093 0.82 LMNA (0.56) LMNAKMT2A
SCHEMBL10115891 0.81 CYP3A4 (0.57) LMNAKMT2ACYP2C19NPSR1

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 GRIA2 347/4885LMNA 1925/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 334/4885LMNA 2068/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 358/4885LMNA 1857/4885KMT2A 2953/4885

“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.