SCHEMBL5505370

SCHEMBL5505370

N#Cc1ccc2[nH]c(C(=O)C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
PYGL P06737 1/20 0.42
PYGM P11217 1/20 0.42
CYP19A1 P11511 1/20 0.40
HSD11B1 P28845 3/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GHSR Q92847 1/20 0.37
GRM2 Q14416 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL8267954 0.85 HSD11B1 (0.42) CNR2PYGLPYGMCYP19A1HSD11B1
SCHEMBL5507378 0.82 FLT3 (0.56) CNR2
SCHEMBL5510077 0.81 KDM4E (0.56) CNR2LMNAHSD17B10KDM4ETSHR
SCHEMBL29988822 0.79 CNR2 (0.65) CNR2LMNAHTTHSD17B10KDM4E
SCHEMBL5507170 0.79 PDGFRB (0.62) LMNAHTTKDM4ETSHRALDH1A1
SCHEMBL1609672 0.75 SMAD3 (0.60) PYGLPYGMCYP19A1LMNAHSD17B10
SCHEMBL1615613 0.74 CYP19A1 (0.49) CNR2PYGLPYGMCYP19A1LMNA
SCHEMBL5508886 0.73 FLT3 (0.48) CNR2LMNAHSD17B10KDM4ETSHR
SCHEMBL5480809 0.73 CYP19A1 (0.51) CNR2PYGLPYGMCYP19A1LMNA
SCHEMBL5508084 0.71 KDM4E (0.66) CNR2HSD17B10KDM4EALDH1A1NPC1

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 CNR2 4/4885PYGL 2130/4885PYGM 2637/4885

“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.