SCHEMBL2250320

SCHEMBL2250320

O=C(N1CC[N]CC1)[C@]1(Cc2ccc(F)cc2)CCCN1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.66
PARP1 P09874 9/20 0.53
HSD11B1 P28845 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL2250324 1.00 HRH3 (0.66) HRH3PARP1HSD11B1SLC6A2SLC6A4
SCHEMBL2250315 1.00 HRH3 (0.66) HRH3PARP1HSD11B1SLC6A2SLC6A4
SCHEMBL3915676 0.88 HRH3 (0.52) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL4241067 0.88 HRH3 (0.52) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL4241064 0.88 HRH3 (0.52) HRH3PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL3909127 0.88 HRH3 (0.64) HRH3PARP1HSD11B1SLC6A2SLC6A4
SCHEMBL4327497 0.79 HRH3 (1.00) HRH3PARP1
SCHEMBL4327494 0.79 HRH3 (1.00) HRH3PARP1
SCHEMBL1819135 0.79 HRH3 (0.56) HRH3PARP1HSD11B1SLC6A2SLC6A4
SCHEMBL11234764 0.79 HRH3 (0.56) HRH3PARP1HSD11B1SLC6A2SLC6A4

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 7 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-8354413-B2 Quinolin-4-one and 4-oxodihydrocinnoline derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) Istituto di Ricerche di Biologia Molecolare P. Angeletti, S.R.L. (IT) 2013-01-15 US 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-20110207720-A1 QUINOLIN-4-ONE AND 4-OXODIHYRDOCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-08-25 US disclosed
EP-2193121-A1 QUINOLIN-4-ONE AND 4-OXODIHYDROCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-06-09 EP 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
WO-2009027730-A1 QUINOLIN-4-ONE AND 4-OXODIHYDROCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-05 WO 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 (2 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-20110207720-A1 QUINOLIN-4-ONE AND 4-OXODIHYRDOCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 HRH3 1630/4885PARP1 1/4885HSD11B1 3956/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 HRH3 1527/4885PARP1 1/4885HSD11B1 3840/4885

“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.