SCHEMBL4727008

SCHEMBL4727008

O=C(C=CC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
MGAM O43451 1/20 0.45
HDAC8 Q9BY41 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 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
SCHEMBL4727194 1.00 CNR2 (0.46) CNR2MGAMHDAC8ALDH1A1MAPT
SCHEMBL6090136 0.80 NPC1 (0.43) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL6091141 0.77 FAAH (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2RAB9A
SCHEMBL4728914 0.77 RAB9A (0.51) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL4731777 0.77 RAB9A (0.51) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL5511161 0.76 MGAM (0.49) MGAMALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6084070 0.73 CNR2 (0.57) CNR2HDAC8ALDH1A1MAPTGAA
SCHEMBL28198334 0.72 MGAM (0.58) CNR2MGAMHDAC8ALDH1A1MAPT
SCHEMBL27898813 0.72 MGAM (0.58) CNR2MGAMHDAC8ALDH1A1MAPT
SCHEMBL6092078 0.72 SMN1; SMN2 (0.44) ALDH1A1MAPTGAAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 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 4/4885MGAM 4477/4885HDAC8 1821/4885

“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.