SCHEMBL13627671

SCHEMBL13627671

CCC1CC(Oc2nccc3ccccc23)CN1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.40
HCRTR1 O43613 1/20 0.40
SSTR4 P31391 2/20 0.37
SSTR1 P30872 1/20 0.37
ACACB O00763 2/20 0.36
TRPA1 O75762 1/20 0.34
GRM4 Q14833 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL10025288 0.84 HCRTR2 (0.41) HCRTR2HCRTR1SSTR4SSTR1ACACB
SCHEMBL10058619 0.84 HCRTR2 (0.43) HCRTR2HCRTR1SSTR4SSTR1ACACB
SCHEMBL13969530 0.81 MEN1 (0.41)
SCHEMBL14546379 0.80 IDO1 (0.41) HCRTR2HCRTR1SSTR4
SCHEMBL12237062 0.77 HCRTR2 (0.42) HCRTR2HCRTR1SSTR4SSTR1ACACB
SCHEMBL13627670 0.77 SSTR4 (0.37) HCRTR2HCRTR1SSTR4
SCHEMBL10058063 0.77 MEN1 (0.42)
SCHEMBL10058624 0.75 SLC6A2 (0.42)
SCHEMBL10058620 0.73 GRIN1 (0.46) HCRTR2HCRTR1
SCHEMBL1178075 0.69 SLC6A2 (0.52) 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 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 HCRTR2 4803/4885HCRTR1 4390/4885SSTR4 3545/4885

“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.