SCHEMBL3072839

SCHEMBL3072839

CCOCCN(C)Cc1ccc2c(c1)CNC(=O)c1cccn1-2

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.72
HTR3E A5X5Y0 4/20 0.38
HTR3B O95264 4/20 0.38
HTR3A P46098 4/20 0.38
HTR3D Q70Z44 4/20 0.38
HTR3C Q8WXA8 4/20 0.38
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
ACHE P22303 2/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL3079474 0.84 PARP1 (1.00) PARP1MCHR1
SCHEMBL3068611 0.75 PARP1 (0.83) PARP1MCHR1ACHEKDR
SCHEMBL3062499 0.72 PARP1 (1.00) PARP1ACHE
SCHEMBL3062825 0.71 PARP1 (0.65) PARP1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3068011 0.71 PARP1 (0.98) PARP1ACHE
SCHEMBL3072464 0.69 PARP1 (0.63) PARP1TSHRPDGFRBKDR
SCHEMBL8072073 0.67 PARP1 (0.58) PARP1TSHR
SCHEMBL14615102 0.66 HRH3 (0.40)
SCHEMBL616042 0.63 TSHR (0.62) TSHRACHE
SCHEMBL17398952 0.60 TSHR (0.68) TSHRACHE

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 1/4885HTR3E 1890/4885HTR3B 2681/4885

“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.