SCHEMBL10114786

SCHEMBL10114786

CCN1C(=O)c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.50
KDM4E B2RXH2 9/20 0.50
HPGD P15428 9/20 0.50
HSD17B10 Q99714 6/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.41
GRIA2 P42262 1/20 0.40
CASP3 P42574 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
GNRHR P30968 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
SCHEMBL14424800 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL10114627 0.91 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL14627682 0.89 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL10114454 0.89 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL10114839 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL13204345 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL12882604 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL10114783 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL10114437 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL10114807 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10RAB9A

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 8 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-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-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 (2 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 ALDH1A1 4558/4885KDM4E 1668/4885HPGD 3487/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885HPGD 3475/4885

“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.