SCHEMBL10058619

SCHEMBL10058619

CCC1CC(Oc2nccc3ccccc23)CN1CC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.43
HCRTR1 O43613 1/20 0.43
ACACB O00763 2/20 0.39
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
TRPA1 O75762 1/20 0.36
KLK5 Q9Y337 1/20 0.34
GRM4 Q14833 1/20 0.34
CYP2A6 P11509 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
SCHEMBL12237062 0.84 HCRTR2 (0.42) HCRTR2HCRTR1ACACBSSTR1SSTR4
SCHEMBL13627671 0.84 HCRTR2 (0.40) HCRTR2HCRTR1ACACBSSTR1SSTR4
SCHEMBL10058625 0.81 RAB9A (0.44) HRH4
SCHEMBL13627669 0.80 MEN1 (0.42) HCRTR2HCRTR1
SCHEMBL13627378 0.79 HCRTR1 (0.43) HCRTR2HCRTR1
SCHEMBL12237054 0.76 HCRTR2 (0.39) HCRTR2HCRTR1
SCHEMBL12237069 0.76 MEN1 (0.44)
SCHEMBL12849164 0.74 SLC6A2 (0.44)
SCHEMBL10058618 0.74 HRH3 (0.37) CYP2A6
SCHEMBL12849170 0.72 GRIN1 (0.48) HCRTR2HCRTR1

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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 HCRTR2 4841/4885HCRTR1 4521/4885ACACB 2111/4885

“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.