SCHEMBL10134049

SCHEMBL10134049

O=CNc1ccc(N2CCC(O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
WDR91 A4D1P6 3/20 0.41
ABL1 P00519 1/20 0.41
STAT6 P42226 1/20 0.39
PDE7A Q13946 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
SYK P43405 1/20 0.38
NOTUM Q6P988 3/20 0.38
NAMPT P43490 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 3/20 0.37
JAK2 O60674 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
SCHEMBL31003565 0.90 HPGDS (0.43) WDR91ABL1SYKSMN1; SMN2JAK2
SCHEMBL21254587 0.85 MCHR1 (0.49) WDR91HDAC8HDAC6SMN1; SMN2
SCHEMBL22485141 0.81 SMN1; SMN2 (0.47) SMN1; SMN2
SCHEMBL10133355 0.81 NAMPT (0.52) CDK4CCND1CCND2CCND3NOTUM
SCHEMBL4125442 0.79 TRIM24 (0.55) ARWDR91ABL1NOTUMSMN1; SMN2
SCHEMBL3293069 0.79 TRIM24 (0.55) ARWDR91ABL1NOTUMSMN1; SMN2
SCHEMBL3932607 0.79 TRIM24 (0.55) ARWDR91ABL1NOTUMSMN1; SMN2
SCHEMBL21254662 0.78 WDR91 (0.41) WDR91ABL1PDE7ASMN1; SMN2
SCHEMBL5856552 0.77 KMT2A (0.62) ABL1PDE7ANAMPTSMN1; SMN2
SCHEMBL21254499 0.76 RAB9A (0.50) HDAC8HDAC6SMN1; 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-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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 AR 237/4885CDK4 3722/4885CCND1 3448/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R AR 303/4885CDK4 3424/4885CCND1 3002/4885

“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.