SCHEMBL3069589

SCHEMBL3069589

CC(C)(C)OC(=O)N1CCN(C2CCCCC2)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.46
P2RX7 Q99572 1/20 0.44
TP53 P04637 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL1583858 0.96 TP53 (0.44) EPHX1HPGDP2RX7TP53DDB1
SCHEMBL3075546 0.93 HPGD (0.48) EPHX1HPGDP2RX7TP53DDB1
SCHEMBL5619854 0.93 CHRM2 (0.46) EPHX1HPGDTP53DDB1CRBN
SCHEMBL1663196 0.88 CHRM2 (0.49) HPGDTP53DDB1CRBNMAPT
SCHEMBL1583351 0.88 CHRM2 (0.49) HPGDTP53DDB1CRBNMAPT
SCHEMBL1583349 0.88 CHRM2 (0.49) HPGDTP53DDB1CRBNMAPT
SCHEMBL3451214 0.88 DDB1 (0.44) HPGDTP53DDB1CRBNMAPT
SCHEMBL12526594 0.86 USP2 (0.50) HPGDTP53DDB1CRBNMAPT
SCHEMBL19188152 0.86 EPHX1 (0.47) EPHX1HPGDTP53DDB1CRBN
SCHEMBL2949898 0.85 HSD17B10 (0.46) HPGDTP53DDB1CRBNMAPT

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
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 EPHX1 3927/4885HPGD 947/4885P2RX7 649/4885

“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.