SCHEMBL7920395

SCHEMBL7920395

CCC[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.31
GRM2 Q14416 2/20 0.30
GRM5 P41594 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL789445 0.88 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL1952301 0.88 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL5692521 0.88 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL13336901 0.88 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL13336913 0.88 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL15893770 0.88 GRM2 (0.32) GRM2GRM5GRM1
Hydrochloric Acid SCHEMBL1071123 0.87 GRM2 (0.31) GRM2GRM5GRM1
SCHEMBL15423558 0.87 GRM2 (0.31) GRM2GRM5GRM1
Hydrochloric Acid SCHEMBL4562827 0.87 GRM2 (0.31) GRM2GRM5GRM1
Hydrochloric Acid SCHEMBL4777044 0.87 GRM2 (0.31) GRM2GRM5GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL SCN9A 4339/4885GRM2 4310/4885GRM5 3534/4885

“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.