SCHEMBL3600487

SCHEMBL3600487

CCc1nn(COCC[Si](C)(C)C)c2cc(C(=O)N(C)OC)ccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.41
NPC1 O15118 1/20 0.37
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
DGAT1 O75907 3/20 0.32
F2RL1 P55085 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RORC P51449 1/20 0.31
MLYCD O95822 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3603076 0.85 SLC22A12 (0.46) SLC22A12NPC1DGAT1F2RL1MAPT
SCHEMBL3602826 0.84 SLC22A12 (0.48) SLC22A12NPC1PIK3CAMTORALDH1A1
SCHEMBL3605949 0.82 SLC22A12 (0.40) SLC22A12NPC1ALDH1A1HPGDMAPT
SCHEMBL3605954 0.82 SLC22A12 (0.40) SLC22A12NPC1ALDH1A1HPGDMAPT
SCHEMBL3609999 0.82 SLC22A12 (0.45) SLC22A12PIK3CAALDH1A1HPGDKDM4E
SCHEMBL3594665 0.82 HPGD (0.39) NPC1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5183568 0.80 SLC22A12 (0.38) SLC22A12NPC1
SCHEMBL3604441 0.78 SLC22A12 (0.43) SLC22A12PIK3CAMTORALDH1A1HPGD
SCHEMBL2144551 0.76 HTR2A (0.35) SLC22A12NPC1DGAT1F2RL1
SCHEMBL3612834 0.76 SLC22A12 (0.39) SLC22A12PIK3CAMTORALDH1A1HPGD

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 2455/4885NPC1 4728/4885PIK3CA 1703/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 SLC22A12 2455/4885NPC1 4728/4885PIK3CA 1703/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 SLC22A12 2455/4885NPC1 4728/4885PIK3CA 1703/4885

“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.