SCHEMBL12849162

SCHEMBL12849162

CCN1CC(Oc2cccc3ccccc23)CC1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ENPP2 Q13822 3/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE10A Q9Y233 1/20 0.36
HTR1B P28222 4/20 0.36
HTR1D P28221 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
SLC6A9 P48067 1/20 0.34

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
SCHEMBL12237064 0.86 GRIN1 (0.48) HCRTR1HCRTR2
SCHEMBL10058616 0.86 SSTR4 (0.37) MEN1KMT2AHCRTR1HCRTR2
SCHEMBL10025291 0.82 MEN1 (0.40) MEN1KMT2AENPP2PDE3BPDE3A
SCHEMBL13627669 0.82 MEN1 (0.42) MEN1KMT2AENPP2PDE3BPDE3A
SCHEMBL12237062 0.81 HCRTR2 (0.42) HCRTR1HCRTR2
SCHEMBL12237059 0.81 HCRTR2 (0.42) HCRTR1HCRTR2
SCHEMBL12849168 0.79 KDM4E (0.35) PDE3BPDE3APDE10AKDM4E
SCHEMBL12507730 0.78 MEN1 (0.42) MEN1KMT2AENPP2KDM4EALDH1A1
SCHEMBL13627380 0.75 SLC2A1 (0.42) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL13969530 0.75 MEN1 (0.41) MEN1KMT2AENPP2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906550-B2 Viricide against hepatitis virus; pyrrole derivatives as, for example, 3-acetyl-4,5-dimethyl-2-pyrrole carboxylic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 US disclosed
US-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2008-05-29 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-20080125376-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 MEN1 4219/4885KMT2A 2676/4885ENPP2 1088/4885

“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.