SCHEMBL10114451

SCHEMBL10114451

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
GAK O14976 1/20 0.38
F10 P00742 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL14424079 1.00 TP53 (0.42) TP53KMT2ASMN1; SMN2GAKF10
SCHEMBL10134414 1.00 TP53 (0.42) TP53KMT2ASMN1; SMN2GAKF10
SCHEMBL10114745 0.91 HRH3 (0.46) KMT2AGAKTSHRMAPTGSK3B
SCHEMBL10114405 0.91 HRH3 (0.46) KMT2AGAKTSHRMAPTGSK3B
SCHEMBL10133481 0.88 NPY5R (0.46) TP53KMT2ASMN1; SMN2GAKTSHR
SCHEMBL14424253 0.88 NPY5R (0.46) TP53KMT2ASMN1; SMN2GAKTSHR
SCHEMBL13204140 0.88 NPY5R (0.46) TP53KMT2ASMN1; SMN2GAKTSHR
SCHEMBL10114326 0.88 NPY5R (0.46) TP53KMT2ASMN1; SMN2GAKTSHR
SCHEMBL13204298 0.88 TP53 (0.38) TP53KMT2ASMN1; SMN2GAKF10
SCHEMBL10134100 0.88 TP53 (0.38) TP53KMT2ASMN1; SMN2GAKF10

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 5 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-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 TP53 4449/4885KMT2A 2912/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885KMT2A 2768/4885SMN1; SMN2 2197/4885

“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.