SCHEMBL3553663

SCHEMBL3553663

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2)cc1OC1CCCO1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42

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
SCHEMBL3550727 0.96 TSHR (0.54) TSHRSMN1; SMN2POLBALDH1A1NPC1
SCHEMBL3551575 0.92 SMN1; SMN2 (0.49) TSHRSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL3541351 0.89 TSHR (0.46) TSHRSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL3542984 0.89 SMN1; SMN2 (0.47) TSHRSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL3546489 0.88 SMN1; SMN2 (0.52) TSHRSMN1; SMN2MAPTALDH1A1PDE4A
SCHEMBL3545450 0.88 SMN1; SMN2 (0.46) TSHRSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL3554548 0.88 SMN1; SMN2 (0.49) TSHRSMN1; SMN2PDE4APDE4BKMT2A
SCHEMBL5246847 0.88 TP53 (0.56) TSHRSMN1; SMN2POLBCYP2C19PDE4A
SCHEMBL3548397 0.87 SMN1; SMN2 (0.47) TSHRSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL3547641 0.87 PDE4B (0.49) TSHRSMN1; SMN2MAPTALDH1A1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP claimed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US claimed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO claimed
US-7696198-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-13 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-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
EP-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP disclosed
US-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US disclosed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 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-20050026913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE12, PDE3B TSHR 1786/4885SMN1; SMN2 2104/4885POLB 3029/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 TSHR 2129/4885SMN1; SMN2 754/4885POLB 1746/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A TSHR 2737/4885SMN1; SMN2 2959/4885POLB 1089/4885

“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.