SCHEMBL4465398

SCHEMBL4465398

CCOc1cc([C@@H]2CC(=O)N(CC(=O)Nc3cccc(C)n3)C2)ccc1OC(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 5/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 5/20 0.38
TSHR P16473 4/20 0.38
ALOX15 P16050 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MAPT P10636 4/20 0.37
PKM P14618 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GBA1 P04062 1/20 0.36

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
SCHEMBL4466727 0.90 SMN1; SMN2 (0.48) SMN1; SMN2TP53HSD17B10LMNATSHR
SCHEMBL3554084 0.89 PDE4A (0.48) SMN1; SMN2TP53PDE4APDE4BPDE4C
SCHEMBL4465442 0.85 TSHR (0.41) SMN1; SMN2TP53NPC1RAB9AHSD17B10
SCHEMBL4457384 0.85 TSHR (0.41) SMN1; SMN2TP53NPC1RAB9AHSD17B10
SCHEMBL4457352 0.84 SMN1; SMN2 (0.40) SMN1; SMN2TP53RAB9ALMNATSHR
SCHEMBL4466954 0.84 TP53 (0.48) SMN1; SMN2TP53LMNATSHRMAPT
SCHEMBL4462487 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TP53HSD17B10LMNATSHR
SCHEMBL4461945 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TP53HSD17B10LMNATSHR
SCHEMBL4462219 0.81 SMN1; SMN2 (0.38) SMN1; SMN2TP53NPC1RAB9ATSHR
SCHEMBL4464276 0.81 SMN1; SMN2 (0.38) SMN1; SMN2TP53RAB9ALMNATSHR

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 12 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
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 4711/4885NPC1 4611/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A SMN1; SMN2 2959/4885TP53 4718/4885NPC1 4183/4885

“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.