SCHEMBL4241067

SCHEMBL4241067

Cc1ccc(C[C@@]2(C(=O)N3CC[N]CC3)CCCN2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
PARP1 P09874 9/20 0.47
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL4241064 1.00 HRH3 (0.52) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL3915676 1.00 HRH3 (0.52) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL2250320 0.88 HRH3 (0.66) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL2250324 0.88 HRH3 (0.66) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL2250315 0.88 HRH3 (0.66) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL3909127 0.88 HRH3 (0.64) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL11242292 0.78 SLC6A2 (0.44) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL4249098 0.78 PARP1 (0.42) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL4249096 0.78 PARP1 (0.42) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL1819168 0.78 SLC6A2 (0.44) HRH3PARP1SLC6A2SLC6A4SLC6A3

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-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 HRH3 1527/4885PARP1 1/4885SLC6A2 4048/4885

“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.