SCHEMBL10134529

SCHEMBL10134529

Cc1cc(N2CC(C)OC(C)C2C)c(C)cc1NC(=O)c1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
THRB P10828 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
BRD4 O60885 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
SCHEMBL10116329 1.00 CRHBP (0.40) CRHBPCRHR2THRBCA1CA2
SCHEMBL10116262 0.88 CRHBP (0.43) CRHBPCRHR2THRBCA1CA2
SCHEMBL10133515 0.88 CRHBP (0.43) CRHBPCRHR2THRBCA1CA2
SCHEMBL10116334 0.88 ALDH1A1 (0.41) CRHBPCRHR2THRBCA1CA2
SCHEMBL10134530 0.88 ALDH1A1 (0.41) CRHBPCRHR2THRBCA1CA2
SCHEMBL10116598 0.88 THRB (0.40) CRHBPCRHR2THRBCA1CA2
SCHEMBL10134225 0.88 THRB (0.40) CRHBPCRHR2THRBCA1CA2
SCHEMBL10116369 0.86 CRHBP (0.39) CRHBPCRHR2THRBCA1CA2
SCHEMBL10134198 0.86 CRHBP (0.39) CRHBPCRHR2THRBCA1CA2
SCHEMBL13565938 0.83 L3MBTL1 (0.35) CRHBPCRHR2ALDH1A1

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 13/4885THRB 417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CRHBP 247/4885CRHR2 12/4885THRB 409/4885

“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.