SCHEMBL3602824

SCHEMBL3602824

CCc1nn(CC)c2cc(C(=O)NCOC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.47
HPGD P15428 15/20 0.43
ALDH1A1 P00352 13/20 0.43
CYP2C19 P33261 8/20 0.43
CYP2C9 P11712 8/20 0.43
CYP1A2 P05177 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 8/20 0.41
CYP3A4 P08684 4/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 3/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
PIK3CA P42336 1/20 0.39
GLA P06280 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
SCHEMBL3609996 0.91 ALDH1A1 (0.47) SLC22A12HPGDALDH1A1CYP2C19CYP2C9
SCHEMBL3604440 0.87 SLC22A12 (0.43) SLC22A12HPGDALDH1A1CYP2C19CYP2C9
SCHEMBL3606625 0.84 SLC22A12 (0.39) SLC22A12HPGDALDH1A1CYP2C19CYP2C9
SCHEMBL3607938 0.79 SLC22A12 (0.55) SLC22A12HPGDALDH1A1MAPT
SCHEMBL3602826 0.77 SLC22A12 (0.48) SLC22A12HPGDALDH1A1CYP2C19CYP2C9
SCHEMBL3607602 0.76 SLC22A12 (0.49) SLC22A12HPGDALDH1A1CYP2C19CYP2C9
SCHEMBL3598894 0.76 TRPA1 (0.50) HPGDALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL3608064 0.71 SLC22A12 (0.47) SLC22A12HPGDALDH1A1CYP2C19CYP1A2
SCHEMBL3608067 0.71 SLC22A12 (0.47) SLC22A12HPGDALDH1A1CYP2C19CYP1A2
SCHEMBL3609999 0.71 SLC22A12 (0.45) SLC22A12HPGDALDH1A1CYP2C19CYP2C9

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-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
WO-2007123953-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-11-01 WO disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
EP-1799673-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US disclosed
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 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 (3 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SLC22A12 2455/4885HPGD 355/4885ALDH1A1 515/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 SLC22A12 2455/4885HPGD 355/4885ALDH1A1 515/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SLC22A12 2455/4885HPGD 355/4885ALDH1A1 515/4885

“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.