SCHEMBL10114976

SCHEMBL10114976

CC1CC(C)CC(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
GRIA2 P42262 1/20 0.39
RPS6KA5 O75582 2/20 0.39
PKN2 Q16513 2/20 0.39
LRRK2 Q5S007 2/20 0.39
CHUK O15111 1/20 0.39
PRKD3 O94806 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
LTK P29376 1/20 0.39

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
SCHEMBL13204454 1.00 NAMPT (0.44) NAMPTNPSR1MEN1KMT2AROCK2
SCHEMBL10114959 0.87 SMN1; SMN2 (0.49) NAMPTNPSR1MEN1KMT2ALMNA
SCHEMBL13204438 0.87 SMN1; SMN2 (0.49) NAMPTNPSR1MEN1KMT2ALMNA
SCHEMBL14418518 0.85 NAMPT (0.40) NAMPTNPSR1MEN1KMT2AROCK2
SCHEMBL14424201 0.85 NAMPT (0.40) NAMPTNPSR1MEN1KMT2AROCK2
SCHEMBL13204312 0.84 MEN1 (0.42) NAMPTNPSR1MEN1KMT2AROCK2
SCHEMBL10114744 0.84 MEN1 (0.42) NAMPTNPSR1MEN1KMT2AROCK2
SCHEMBL13204310 0.84 MEN1 (0.42) NAMPTNPSR1MEN1KMT2AROCK2
SCHEMBL10134424 0.84 MEN1 (0.42) NAMPTNPSR1MEN1KMT2AROCK2
SCHEMBL10114749 0.84 MEN1 (0.42) NAMPTNPSR1MEN1KMT2AROCK2

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 6 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-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-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 NAMPT 2350/4885NPSR1 8/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885NPSR1 7/4885MEN1 2926/4885

“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.