SCHEMBL10133816

SCHEMBL10133816

CCc1c(N2CC(C)OC(C)C2)ccc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.40
CRHR2 Q13324 3/20 0.40
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.35
USP30 Q70CQ3 1/20 0.35
NAMPT P43490 1/20 0.35
SCN9A Q15858 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
SCHEMBL10116268 1.00 CRHBP (0.40) CRHBPCRHR2KMT2ATHRBLMNA
SCHEMBL10116206 0.90 CRHBP (0.43) CRHBPCRHR2KMT2ATHRBLMNA
SCHEMBL10116266 0.88 CRHBP (0.41) CRHBPCRHR2KMT2ATHRBLMNA
SCHEMBL10133814 0.88 CRHBP (0.41) CRHBPCRHR2KMT2ATHRBLMNA
SCHEMBL10134522 0.88 KMT2A (0.39) CRHBPCRHR2KMT2ATHRBLMNA
SCHEMBL10116548 0.88 KMT2A (0.39) CRHBPCRHR2KMT2ATHRBLMNA
SCHEMBL13204920 0.88 KMT2A (0.39) CRHBPCRHR2KMT2ATHRBLMNA
SCHEMBL17090454 0.84 KDM4E (0.35) CRHBPCRHR2KMT2ALMNAKDM4E
SCHEMBL13565281 0.84 KDM4E (0.35) CRHBPCRHR2KMT2ALMNAKDM4E
SCHEMBL10116205 0.84 LMNA (0.47) CRHBPCRHR2KMT2ATHRBLMNA

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 4 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CRHBP 256/4885CRHR2 13/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CRHBP 247/4885CRHR2 12/4885KMT2A 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.