SCHEMBL5511161

SCHEMBL5511161

O=C(C=CC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.49
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
CFTR P13569 1/20 0.41
HPGDS O60760 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTT P42858 1/20 0.40
DPP4 P27487 1/20 0.39
BCAT1 P54687 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4731545 0.82 ALDH1A1 (0.46) ALDH1A1HPGDS
SCHEMBL4780927 0.82 ALDH1A1 (0.46) ALDH1A1HPGDS
SCHEMBL4728653 0.82 HPGDS (0.54) HPGDS
SCHEMBL4730336 0.80 ALDH1A1 (0.36) SMN1; SMN2RAB9ALMNANPC1ALDH1A1
SCHEMBL4730657 0.80 MAPT (0.35) SMN1; SMN2RAB9ALMNANPC1ALDH1A1
SCHEMBL4729592 0.79 PDGFRB (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGDS
SCHEMBL6091141 0.77 FAAH (0.49) SMN1; SMN2RAB9ALMNANPC1ALDH1A1
SCHEMBL4727194 0.76 CNR2 (0.46) MGAMSMN1; SMN2RAB9ALMNANPC1
SCHEMBL4727008 0.76 CNR2 (0.46) MGAMSMN1; SMN2RAB9ALMNANPC1
SCHEMBL5504799 0.76 MGAM (0.55) MGAMPPARASMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 MGAM 4477/4885PPARA 1589/4885SMN1; SMN2 323/4885

“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.