SCHEMBL4462270

SCHEMBL4462270

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(F)c3)C2)cc1OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
PDE4A P27815 7/20 0.47
PDE4B Q07343 5/20 0.47
PDE4C Q08493 5/20 0.47
PDE4D Q08499 5/20 0.47
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD4 P21917 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4458570 0.92 TP53 (0.49) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL8268558 0.90 TP53 (0.50) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4457771 0.89 SMN1; SMN2 (0.53) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4472360 0.89 SMN1; SMN2 (0.53) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4458851 0.89 SMN1; SMN2 (0.53) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4458571 0.87 SMN1; SMN2 (0.51) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4460101 0.87 SMN1; SMN2 (0.51) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4460720 0.87 SMN1; SMN2 (0.51) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4472387 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TP53TSHRALDH1A1HPGD
SCHEMBL4460109 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TP53TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US claimed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP claimed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US claimed
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO claimed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-12-10 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
US-7585882-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-09-08 US disclosed
EP-1802615-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis MEMORY PHARMACEUTICALS CORPORATION 2006-06-22 US disclosed
WO-2006044955-A1 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 (2 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-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 SMN1; SMN2 754/4885TP53 4711/4885TSHR 2129/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A SMN1; SMN2 2959/4885TP53 4718/4885TSHR 2737/4885

“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.