SCHEMBL169966

SCHEMBL169966

COc1cc(N2CCC(=O)CC2)cnc1OC

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.50
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
PIK3CA P42336 10/20 0.43
PIK3CD O00329 8/20 0.43
MTOR P42345 2/20 0.40
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL321957 0.85 PIK3CD (0.45) PIK3CGPIK3CAPIK3CD
SCHEMBL17893770 0.77 ADAMTS5 (0.47)
SCHEMBL17893801 0.77 LMNA (0.47) MAPT
SCHEMBL10805715 0.76 MEN1 (0.50) SMN1; SMN2
SCHEMBL6353136 0.75 CHRNB2 (0.74) CHRNB2CHRNA4
SCHEMBL17893543 0.75 P2RX3 (0.35)
SCHEMBL17893620 0.75 ADAMTS5 (0.48) MAPT
SCHEMBL171913 0.74 ALDH1A1 (0.43) PIK3CGCHRNB2CHRNA4PIK3CAPIK3CD
SCHEMBL3544939 0.74 LMNA (0.51)
SCHEMBL7492716 0.74 MAOB (0.44) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 PIK3CG 16/4885CHRNB2 4863/4885CHRNA4 4869/4885

“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.