SCHEMBL10116362

SCHEMBL10116362

C[C@@H]1CN(C(=O)c2cccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)c2)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.56
CRHBP P24387 3/20 0.55
CRHR2 Q13324 3/20 0.55
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 2/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 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
SCHEMBL10134532 1.00 RXFP1 (0.56) RXFP1CRHBPCRHR2HSD17B10KMT2A
SCHEMBL10116361 0.90 CRHBP (0.64) RXFP1CRHBPCRHR2HSD17B10KMT2A
SCHEMBL10134535 0.90 CRHBP (0.64) RXFP1CRHBPCRHR2HSD17B10KMT2A
SCHEMBL10133619 0.86 RXFP1 (0.56) RXFP1CRHBPCRHR2HSD17B10KMT2A
SCHEMBL10116643 0.86 RXFP1 (0.56) RXFP1CRHBPCRHR2HSD17B10KMT2A
SCHEMBL10116185 0.85 RXFP1 (0.52) RXFP1CRHBPCRHR2HPGDLMNA
SCHEMBL10134518 0.85 RXFP1 (0.52) RXFP1CRHBPCRHR2HPGDLMNA
SCHEMBL11935991 0.85 HSD17B10 (0.52) CRHBPCRHR2HSD17B10KMT2AHPGD
SCHEMBL11941039 0.85 HSD17B10 (0.52) CRHBPCRHR2HSD17B10KMT2AHPGD
SCHEMBL10116233 0.83 RXFP1 (0.66) RXFP1KMT2ALMNASMN1; SMN2ALDH1A1

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 7 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-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-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 (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 RXFP1 54/4885CRHBP 238/4885CRHR2 12/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RXFP1 53/4885CRHBP 256/4885CRHR2 13/4885

“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.