SCHEMBL10058624

SCHEMBL10058624

CCC1CC(Oc2ccccc2)CN1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRM2 P08172 5/20 0.38
CHRM3 P20309 5/20 0.38
SLC6A4 P31645 2/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
HRH1 P35367 1/20 0.36
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
FFAR1 O14842 1/20 0.34
NAAA Q02083 1/20 0.33
USP30 Q70CQ3 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
RBP4 P02753 1/20 0.33
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL12849164 0.79 SLC6A2 (0.44) SLC6A2SLC6A3CHRM2CHRM3SLC6A4
SCHEMBL10025297 0.79 SLC6A2 (0.44) SLC6A2SLC6A3CHRM2CHRM3SLC6A4
SCHEMBL13969530 0.79 MEN1 (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL12507732 0.77 CHRM2 (0.42) SLC6A2SLC6A3CHRM2CHRM3GRIN1
SCHEMBL10058063 0.75 MEN1 (0.42)
SCHEMBL13627670 0.75 SSTR4 (0.37) GRIN1GRIN2B
SCHEMBL13017370 0.74 CHRM2 (0.42) SLC6A2SLC6A3CHRM2CHRM3GRIN1
SCHEMBL2152855 0.74 GRIN1 (0.35) CHRM2CHRM3GRIN1GRIN2B
SCHEMBL890073 0.74 HTT (0.31)
SCHEMBL10058067 0.74 DRD2 (0.39)

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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 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 SLC6A2 1308/4885SLC6A3 1202/4885CHRM2 4876/4885

“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.