SCHEMBL3082811

SCHEMBL3082811

O=C1NCc2cc(CNCC3CCCCC3)ccc2-n2cccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.60
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
METTL3 Q86U44 7/20 0.37
METTL14 Q9HCE5 4/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PIM1 P11309 4/20 0.35
PIM2 Q9P1W9 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
NPY5R Q15761 1/20 0.34
ESRRA P11474 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33

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
SCHEMBL3068159 0.85 PARP1 (0.62) PARP1METTL3METTL14HDAC1PRMT5
SCHEMBL3068011 0.76 PARP1 (0.98) PARP1
SCHEMBL27085844 0.74 HDAC6 (0.45) OPRM1OPRD1OPRK1HDAC6METTL3
SCHEMBL8072073 0.68 PARP1 (0.58) PARP1
SCHEMBL3072839 0.67 PARP1 (0.72) PARP1
SCHEMBL3068120 0.65 PARP1 (0.67) PARP1METTL3METTL14
SCHEMBL3066710 0.65 PARP1 (0.67) PARP1HDAC6METTL3METTL14
SCHEMBL4778922 0.62 HDAC6 (0.47) OPRM1OPRD1OPRK1HDAC6METTL3
SCHEMBL10764797 0.62 CXCR4 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL7603669 0.62 CXCR4 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885OPRM1 2150/4885OPRD1 2963/4885

“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.