SCHEMBL375048

SCHEMBL375048

CCC1CC1(N)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM4 Q14833 5/20 0.33
GRM8 O00222 3/20 0.33
GRM6 O15303 2/20 0.33
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL27555679 0.87 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL27809137 0.86 ALDH1A1 (0.35) GRM2GRM5GRM1GRM4GRM8
SCHEMBL14592183 0.80 GRM2 (0.32) GRM2GRM5GRM1
SCHEMBL13757663 0.79 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL14647478 0.79 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL3238992 0.79 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL10272013 0.79 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL2487735 0.79 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL16575073 0.79 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8
SCHEMBL2744927 0.79 GRM2 (0.38) GRM2GRM5GRM1GRM4GRM8

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 US disclosed
EP-2049474-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-11-04 EP disclosed
EP-2086963-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
EP-2300490-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-03-04 EP disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 US disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004032827-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
US-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors CAMPBELL JEFFREY ALLEN (US) 2004-04-15 US disclosed
US-20040048802-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-11 US disclosed
WO-2003099316-A1 HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
EP-1337550-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-08-27 EP disclosed
US-20020111313-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US disclosed
WO-2002060926-A2 HEPATITIS C TRIPEPTIDE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 WO 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 (6 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-20040072761-A1 Heterocyclicsulfonamide hepatitis C virus inhibitors HCCS, ANPEP, DNPEP GRM2 4803/4885GRM5 4569/4885GRM1 4677/4885
US-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 GRM2 4503/4885GRM5 4419/4885GRM1 4096/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 GRM2 4503/4885GRM5 4419/4885GRM1 4096/4885
US-20020111313-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP GRM2 4692/4885GRM5 4075/4885GRM1 4386/4885
US-20040048802-A1 Hepatitis C virus inhibitors HAVCR2, ZC3HAV1, VIP GRM2 4692/4885GRM5 4075/4885GRM1 4386/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP GRM2 4705/4885GRM5 4270/4885GRM1 3998/4885

“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.