SCHEMBL3917784

SCHEMBL3917784

O=C(C1CNCC[N]1)[C@@H]1CCCN1Cc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.52
MC1R Q01726 2/20 0.52
MC3R P41968 1/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
FAAH O00519 10/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3917779 1.00 MC4R (0.52) MC4RMC1RMC3RCYP1A2CYP2C19
SCHEMBL2250064 0.87 SCN3A (0.44) MC4RMC1RMC3RCYP1A2CYP2C19
SCHEMBL3918668 0.87 ALDH1A1 (0.43) MC4RMC1RMC3RCYP1A2CYP2C19
SCHEMBL29412325 0.78 CYP1A2 (0.73) MC4RMC1RMC3RCYP1A2CYP2C19
SCHEMBL2030876 0.78 CYP1A2 (0.73) MC4RMC1RMC3RCYP1A2CYP2C19
SCHEMBL29642918 0.78 CYP1A2 (0.73) MC4RMC1RMC3RCYP1A2CYP2C19
SCHEMBL1818814 0.78 CYP1A2 (0.73) MC4RMC1RMC3RCYP1A2CYP2C19
SCHEMBL3920633 0.75 HSD11B1 (0.35)
SCHEMBL3920639 0.75 HSD11B1 (0.35)
SCHEMBL3918669 0.70 KDM4E (0.36) TSHRKMT2A

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-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
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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 (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 MC4R 2008/4885MC1R 513/4885MC3R 1994/4885

“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.