SCHEMBL10133534

SCHEMBL10133534

CC1CN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)(C)C)cc3)c(F)c2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL10116204 1.00 CRHBP (0.42) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10116207 0.90 MAPT (0.44) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10133620 0.87 KDM4E (0.41) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10116486 0.87 KDM4E (0.41) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL13204903 0.87 KDM4E (0.41) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10116222 0.86 MAPT (0.52) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10133444 0.86 MAPT (0.52) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10114483 0.86 MAPT (0.52) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10116192 0.86 MAPT (0.52) CRHBPCRHR2KMT2AMAPTLMNA
SCHEMBL10116206 0.86 CRHBP (0.43) CRHBPCRHR2KMT2AMAPTLMNA

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.