SCHEMBL4466836

SCHEMBL4466836

CCOc1cc([C@@H]2CC(=O)N([C@@H](C)C(=O)Nc3cccc(F)c3)C2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.39
KMT2A Q03164 7/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
KCNA5 P22460 2/20 0.39
KCNH2 Q12809 2/20 0.39
KCNB1 Q14721 2/20 0.39
KCNK2 O95069 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
FPR1 P21462 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL4476281 1.00 MEN1 (0.39) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4466954 0.85 TP53 (0.48) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4457384 0.84 TSHR (0.41) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4465442 0.84 TSHR (0.41) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4471589 0.80 PDE4B (0.38) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4462080 0.80 PDE4B (0.38) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL4458570 0.77 TP53 (0.49) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL27702523 0.75 TP53 (0.49) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL4472346 0.75 TP53 (0.47) TP53TSHRSMN1; SMN2
SCHEMBL4457771 0.75 SMN1; SMN2 (0.53) MEN1KMT2AMAPTLMNAALDH1A1

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 11 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
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
CN-101166737-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN 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 MEN1 865/4885KMT2A 1797/4885MAPT 3363/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A MEN1 2305/4885KMT2A 1916/4885MAPT 4686/4885

“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.