SCHEMBL5503728

SCHEMBL5503728

CCN(CC)c1ccc2cc(C(=O)c3ccc(C#N)cc3)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
KDM4E B2RXH2 7/20 0.58
MAOB P27338 3/20 0.56
ALDH1A1 P00352 7/20 0.54
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
ATM Q13315 4/20 0.54
USP2 O75604 3/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
SLC16A3 O15427 1/20 0.52
ALOX15 P16050 1/20 0.52
SLC16A1 P53985 1/20 0.52
CYP19A1 P11511 1/20 0.51
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL2989042 0.86 MAOB (0.76) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL5508280 0.85 MAPT (0.59) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL10613822 0.84 MAOB (0.72) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL5504661 0.78 KMT2A (0.55) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL5507230 0.77 MAOB (0.54) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL5503783 0.77 KMT2A (0.49) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL11860823 0.77 KMT2A (0.71) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL5599540 0.77 ALDH1A1 (0.68) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL28519173 0.76 MEN1 (0.58) MAPTMEN1KMT2AKDM4EMAOB
SCHEMBL28519175 0.76 MEN1 (0.58) MAPTMEN1KMT2AKDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN claimed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP claimed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN disclosed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US 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 (1 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 MAPT 87/4885MEN1 774/4885KMT2A 2600/4885

“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.