SCHEMBL4830136

SCHEMBL4830136

C[C@H](N)c1ccc(C(C)(C)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.59
ADRB2 P07550 1/20 0.48
OPRD1 P41143 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
HSD11B1 P28845 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GRIN2B Q13224 2/20 0.32
KIF11 P52732 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32

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
SCHEMBL4826658 1.00 PDE2A (0.59) PDE2AADRB2OPRD1CYP2D6CYP2C9
SCHEMBL4826652 1.00 PDE2A (0.59) PDE2AADRB2OPRD1CYP2D6CYP2C9
SCHEMBL24209319 0.81 PDE2A (0.63) PDE2AADRB2KIF11NR1H4
SCHEMBL9984888 0.81 PDE2A (0.63) PDE2AADRB2KIF11NR1H4
SCHEMBL2693433 0.81 PDE2A (0.63) PDE2AADRB2KIF11NR1H4
SCHEMBL565578 0.81 CYP2C9 (0.57) PDE2AOPRD1CYP2D6CYP2C9HIF1A
SCHEMBL31201776 0.79 PTPN5 (0.46) PDE2AOPRD1CYP2D6CYP2C9HIF1A
Hydrogen Peroxide SCHEMBL28402319 0.79 CYP2C9 (0.61) PDE2AOPRD1CYP2D6CYP2C9HIF1A
SCHEMBL19502872 0.79 PDE2A (0.61) PDE2AADRB2CYP2D6CYP2C9HIF1A
SCHEMBL14291912 0.79 PDE2A (0.61) PDE2AADRB2CYP2D6CYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP disclosed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US disclosed
CN-1404481-A Nicotinamide benzofused heterocyclic derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2003-03-19 CN disclosed
EP-1252158-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2002-10-30 EP disclosed
WO-2001057036-A1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2001-08-09 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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 PDE2A 15/4885ADRB2 464/4885OPRD1 1776/4885

“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.