SCHEMBL16619486

SCHEMBL16619486

N#CC(CCCNCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
DRD4 P21917 4/20 0.57
OPRM1 P35372 4/20 0.57
DRD3 P35462 4/20 0.57
CYP2D6 P10635 1/20 0.47
CCR1 P32246 5/20 0.45
CCR3 P51677 2/20 0.45
KCNA3 P22001 4/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8046070 0.83 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL28481925 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL6258542 0.75 DRD2 (0.68) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL9493598 0.74 DRD2 (0.52) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL23654620 0.73 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL4484524 0.73 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL18015780 0.73 DRD2 (0.61) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL9911006 0.73 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL12587622 0.72 DRD2 (0.67) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL9490826 0.72 DRD2 (0.53) DRD2DRD4OPRM1DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 US disclosed
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 DRD2 3538/4885DRD4 4063/4885OPRM1 2280/4885

“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.