SCHEMBL10133355

SCHEMBL10133355

NC1CCN(c2ccc(NC=O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
WEE1 P30291 4/20 0.41
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HRH4 Q9H3N8 3/20 0.38
KHK P50053 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL14368352 0.82 NAMPT (0.43) NAMPTWEE1HRH4KHKALDH1A1
SCHEMBL10134049 0.81 AR (0.46) NAMPTCDK4CCND1CCND2CCND3
SCHEMBL22485141 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL13105676 0.79 NAMPT (0.52) NAMPTCDK4CCND1CCND2CCND3
SCHEMBL31003565 0.78 HPGDS (0.43) WEE1ALDH1A1SMN1; SMN2
SCHEMBL15372704 0.75 MCHR1 (0.43) ALDH1A1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL13716641 0.75 NAMPT (0.52) NAMPTCDK4CCND1CCND2CCND3
SCHEMBL11935100 0.75 NAMPT (0.46) NAMPTCDK4CCND1CCND2CCND3
SCHEMBL13438653 0.75 NAMPT (0.46) NAMPTCDK4CCND1CCND2CCND3
SCHEMBL10133331 0.74 TRIM24 (0.57) ALDH1A1HDAC6SMN1; SMN2

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-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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 NAMPT 2464/4885CDK4 174/4885CCND1 965/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885CDK4 3722/4885CCND1 3448/4885

“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.