SCHEMBL10134515

SCHEMBL10134515

CC1CC(C)CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HRH3 Q9Y5N1 4/20 0.44
NAMPT P43490 3/20 0.44
PANK3 Q9H999 3/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
EPHX2 P34913 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CA1 P00915 4/20 0.40
PTPN7 P35236 1/20 0.40

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
SCHEMBL10115895 1.00 KDM4E (0.46) KDM4EHRH3NAMPTPANK3ALDH1A1
SCHEMBL10115887 1.00 KDM4E (0.46) KDM4EHRH3NAMPTPANK3ALDH1A1
SCHEMBL10134516 1.00 KDM4E (0.46) KDM4EHRH3NAMPTPANK3ALDH1A1
SCHEMBL10115860 0.89 MAPT (0.48) HRH3NAMPTPANK3ALDH1A1TP53
SCHEMBL10115911 0.89 MAPT (0.48) HRH3NAMPTPANK3ALDH1A1TP53
SCHEMBL10116017 0.87 NAMPT (0.49) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10133805 0.86 LMNA (0.47) KDM4EHRH3NAMPTMAPTLMNA
SCHEMBL10115590 0.86 LMNA (0.47) KDM4EHRH3NAMPTMAPTLMNA
SCHEMBL10115589 0.86 LMNA (0.47) KDM4EHRH3NAMPTMAPTLMNA
SCHEMBL10133815 0.86 LMNA (0.47) KDM4EHRH3NAMPTMAPTLMNA

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 KDM4E 1627/4885HRH3 458/4885NAMPT 2350/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885HRH3 421/4885NAMPT 2832/4885

“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.