SCHEMBL3540398

SCHEMBL3540398

COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C2)cc1OC1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
PDE4A P27815 10/20 0.43
PDE4B Q07343 6/20 0.43
TP53 P04637 1/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3546489 0.93 SMN1; SMN2 (0.52) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3554548 0.91 SMN1; SMN2 (0.49) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3551575 0.90 SMN1; SMN2 (0.49) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3549290 0.90 SMN1; SMN2 (0.47) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL5246847 0.89 TP53 (0.56) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3542984 0.89 SMN1; SMN2 (0.47) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL5759970 0.89 SMN1; SMN2 (0.47) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3547641 0.89 PDE4B (0.49) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3548397 0.89 SMN1; SMN2 (0.47) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3550806 0.88 SMN1; SMN2 (0.61) SMN1; SMN2PDE4APDE4BTP53PDE4C

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-20050026913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2005-02-03 US 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 SMN1; SMN2 2104/4885PDE4A 1/4885PDE4B 5/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 SMN1; SMN2 754/4885PDE4A 1/4885PDE4B 2/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A SMN1; SMN2 2959/4885PDE4A 1/4885PDE4B 5/4885

“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.