SCHEMBL1789638

SCHEMBL1789638

CC(C)(C)N(C(=O)O)C1Cc2ccc(-c3cccc(C(N)=O)c3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.45
DHODH Q02127 5/20 0.41
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
PRF1 P14222 1/20 0.40
PDK2 Q15119 1/20 0.39
ERN1 O75460 3/20 0.39
CSF1R P07333 1/20 0.37
FLT1 P17948 1/20 0.37
FLT3 P36888 1/20 0.37
ADAMTS4 O75173 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL1788762 0.77 TDP2 (0.54) TDP2DHODHPRF1PDK2ERN1
SCHEMBL1027767 0.75 NPY5R (0.41)
SCHEMBL3339690 0.74 TDP2 (0.49) TDP2DHODHPRF1ERN1CSF1R
SCHEMBL12651360 0.74 NR1H2 (0.49) TDP2
SCHEMBL1791020 0.70 PNMT (0.40)
SCHEMBL29941476 0.69 DHODH (0.68) TDP2DHODHPDK2ERN1CSF1R
SCHEMBL1786427 0.68 TDP2 (0.46) TDP2PDK2ERN1CSF1RFLT1
SCHEMBL31422694 0.68 PARP1 (0.64) TDP2DHODHERN1
SCHEMBL2431097 0.68 PARP1 (0.64) TDP2DHODHERN1
Trifluoroacetic Acid SCHEMBL3339283 0.68 DPP4 (0.43) TDP2DHODHCCNE2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 TDP2 4533/4885DHODH 3699/4885CCNE2 4427/4885

“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.