SCHEMBL13627669

SCHEMBL13627669

CCC1CC(Oc2cccc3ccccc23)CN1CC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1B P28222 4/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HTR1D P28221 1/20 0.37
ENPP2 Q13822 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 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
SCHEMBL12849170 0.86 GRIN1 (0.48) HCRTR1HCRTR2
SCHEMBL12849162 0.82 MEN1 (0.41) MEN1KMT2AHTR1BPDE3BPDE3A
SCHEMBL13969530 0.82 MEN1 (0.41) MEN1KMT2AHTR1BPDE3BPDE3A
SCHEMBL10058619 0.80 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL12507730 0.80 MEN1 (0.42) MEN1KMT2AENPP2HCRTR1HCRTR2
SCHEMBL13627378 0.80 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL12849164 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL10058618 0.77 HRH3 (0.37) PDE3BPDE3APDE10A
SCHEMBL10058158 0.73 SLC2A1 (0.43) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL10058617 0.73 PDE3B (0.48) MEN1KMT2APDE3BPDE3APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 MEN1 4203/4885KMT2A 2527/4885HTR1B 3227/4885

“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.