SCHEMBL3551163

SCHEMBL3551163

COc1ccc(-c2nnc(NC(=O)CN3C[C@H](c4ccc(OC)c(OC5CCCO5)c4)CC3=O)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PDE4A P27815 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
USP2 O75604 1/20 0.42
PDE4B Q07343 6/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
DGAT1 O75907 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3543785 0.93 ALDH1A1 (0.44) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL3543247 0.90 ALDH1A1 (0.47) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL3549160 0.90 ALDH1A1 (0.43) ALDH1A1HPGDPOLBNPC1PDE4A
SCHEMBL3539484 0.89 MEN1 (0.43) ALDH1A1POLBPDE4ASMN1; SMN2PDE4B
SCHEMBL3548409 0.88 PDE4A (0.42) ALDH1A1PDE4ASMN1; SMN2PDE4BPDE4C
SCHEMBL3544869 0.88 PDE4A (0.43) ALDH1A1PDE4ASMN1; SMN2PDE4BPDE4C
SCHEMBL3545504 0.88 HPGD (0.44) ALDH1A1HPGDNPC1RAB9AKDM4E
SCHEMBL4460875 0.88 PDE4A (0.44) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL3550316 0.87 CYP2C9 (0.45) ALDH1A1PDE4ASMN1; SMN2PDE4BPDE4C
SCHEMBL3549157 0.87 CYP2C9 (0.43) ALDH1A1PDE4ASMN1; SMN2PDE4BPDE4C

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-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
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO 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
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 ALDH1A1 132/4885HPGD 255/4885POLB 3029/4885
US-20060135535-A1 4-(substituted-phenyl)-2-pyrrolidinones; reduced emetic side effects; antiinflammatory agents; neurological syndromes, asthma, arthritis PDE4A, PDE4B, PDE12 ALDH1A1 448/4885HPGD 384/4885POLB 1746/4885
US-20090306156-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE5A ALDH1A1 395/4885HPGD 244/4885POLB 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.