SCHEMBL7738405

SCHEMBL7738405

CC(C)(C)OC(=O)N1CCN(c2nc3[nH]cnc3c(=O)[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
NAMPT P43490 1/20 0.44
MAPT P10636 2/20 0.43
ACHE P22303 2/20 0.43
MAP4K4 O95819 1/20 0.43
KIT P10721 2/20 0.42
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
PTPN11 Q06124 1/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
SPR P35270 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
PARP1 P09874 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL1920031 0.82 SCD (0.47) KCNH2NAMPTMAPTACHEMAP4K4
SCHEMBL1030946 0.78 MAP4K4 (0.47) KCNH2MAPTACHEMAP4K4KIT
SCHEMBL3876920 0.78 KIT (0.45) MAPTACHEMAP4K4KITCKS1B
SCHEMBL1031240 0.77 KIT (0.58) MAPTACHEMAP4K4KITCKS1B
SCHEMBL30225432 0.77 KIT (0.58) MAPTACHEMAP4K4KITCKS1B
SCHEMBL13780210 0.76 KIT (0.39) KCNH2NAMPTMAPTACHEMAP4K4
SCHEMBL20897769 0.74 HTR3A (0.62)
SCHEMBL16423355 0.74 ACHE (0.53) MAPTACHEMAP4K4CKS1BSKP1
SCHEMBL16711572 0.74 DTYMK (0.49) KCNH2NAMPTACHEKITCKS1B
SCHEMBL31737437 0.73 KIT (0.46) MAPTMAP4K4KITCKS1BSKP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 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 (1 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-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R KCNH2 1795/4885NAMPT 3715/4885MAPT 4500/4885

“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.