SCHEMBL3605038

SCHEMBL3605038

CC(C)(C)OC(=O)N1CCN(C(=O)c2nc(Cl)cc(N3CCOCC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIK3CA P42336 2/20 0.45
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
PIK3CD O00329 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
GBA1 P04062 1/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3997637 0.86 PIK3CA (0.53) USP2SMN1; SMN2PIK3CAKMT2ACYP1A2
SCHEMBL29434915 0.86 PIK3CA (0.53) USP2SMN1; SMN2PIK3CAKMT2ACYP1A2
SCHEMBL18153347 0.86 PIK3CA (0.53) USP2SMN1; SMN2PIK3CAKMT2ACYP1A2
SCHEMBL1497394 0.83 SMN1; SMN2 (0.49) USP2SMN1; SMN2PIK3CAKMT2ACYP1A2
SCHEMBL3598677 0.83 ALDH1A1 (0.46) USP2SMN1; SMN2PIK3CAKMT2AMAPT
SCHEMBL24851269 0.83 USP2 (0.54) USP2SMN1; SMN2PIK3CAKMT2AMAPT
SCHEMBL1497347 0.80 TBK1 (0.49) USP2SMN1; SMN2PIK3CAPIK3CDGPR119
SCHEMBL13119769 0.80 SMN1; SMN2 (0.43) USP2SMN1; SMN2PIK3CAKMT2ACYP1A2
SCHEMBL16094656 0.79 RAF1 (0.44) USP2SMN1; SMN2PIK3CAKMT2ACYP1A2
SCHEMBL12488579 0.79 GPR119 (0.53) USP2SMN1; SMN2PIK3CAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 USP2 4533/4885SMN1; SMN2 1580/4885PIK3CA 1/4885

“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.