SCHEMBL10133362

SCHEMBL10133362

CC1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
HRH3 Q9Y5N1 4/20 0.44
KMT2A Q03164 1/20 0.43
NAMPT P43490 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.41
HPGDS O60760 1/20 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
SCHEMBL13204194 1.00 MAPT (0.49) MAPTLMNANPSR1ALDH1A1CA12
SCHEMBL10114420 1.00 MAPT (0.49) MAPTLMNANPSR1ALDH1A1CA12
SCHEMBL10115595 1.00 MAPT (0.49) MAPTLMNANPSR1ALDH1A1CA12
SCHEMBL10134461 0.89 HRH3 (0.44) MAPTLMNANPSR1CA12CA1
SCHEMBL10133815 0.88 LMNA (0.47) MAPTLMNANPSR1CA12CA1
SCHEMBL10133805 0.88 LMNA (0.47) MAPTLMNANPSR1CA12CA1
SCHEMBL10115590 0.88 LMNA (0.47) MAPTLMNANPSR1CA12CA1
SCHEMBL10115589 0.88 LMNA (0.47) MAPTLMNANPSR1CA12CA1
SCHEMBL10134483 0.88 LMNA (0.48) MAPTLMNANPSR1ALDH1A1KMT2A
SCHEMBL10115518 0.88 LMNA (0.48) MAPTLMNANPSR1ALDH1A1KMT2A

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 MAPT 3367/4885LMNA 2068/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885LMNA 1857/4885NPSR1 7/4885

“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.