SCHEMBL10114449

SCHEMBL10114449

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.49
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CCR1 P32246 9/20 0.44
DRD2 P14416 3/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10114452 0.88 CACNA1G (0.49) CACNA1GMAPK1ALDH1A1KMT2AHDAC6
SCHEMBL12881996 0.87 CCR1 (0.45) CACNA1GHDAC6CCR1DRD2
SCHEMBL10115106 0.87 CCR1 (0.45) HDAC6CCR1DRD2
SCHEMBL13564873 0.87 CCR1 (0.47) CCR1DRD2
SCHEMBL10115071 0.85 ALDH1A1 (0.43) CACNA1GMAPK1ALDH1A1KMT2ADRD2
SCHEMBL10113400 0.83 GAA (0.59) MAPK1ALDH1A1KMT2AKDM4E
SCHEMBL10114991 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AHDAC6
SCHEMBL13973102 0.82 CACNA1G (0.57) CACNA1GMAPK1ALDH1A1KMT2AHDAC6
SCHEMBL10113386 0.82 SMN1; SMN2 (0.59) MAPK1ALDH1A1KMT2AKDM4E
SCHEMBL12882430 0.81 KDM4E (0.48) CACNA1GMAPK1ALDH1A1KMT2AHDAC6

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 CACNA1G 1329/4885MAPK1 1371/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CACNA1G 1132/4885MAPK1 1345/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CACNA1G 1349/4885MAPK1 1323/4885ALDH1A1 4517/4885

“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.