SCHEMBL10201756

SCHEMBL10201756

CC(C)(C)OC(=O)N1C2C[C@]2(C)C[C@H]1c1nc2ccc3cc(Br)ccc3c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK1 P06493 2/20 0.32
BACE1 P56817 1/20 0.32
USP30 Q70CQ3 2/20 0.31
CCNB2 O95067 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
IDO1 P14902 1/20 0.31
RORC P51449 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALK Q9UM73 1/20 0.31
KRAS P01116 1/20 0.30
KAT2B Q92831 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
SCHEMBL10201154 0.87 GABRG2 (0.34)
SCHEMBL12405025 0.86 KRAS (0.33) BACE1KRAS
SCHEMBL10201503 0.84 GABRA1 (0.35)
SCHEMBL19488783 0.83 USP30 (0.34) CDK1BACE1USP30CCNB2CCNB1
SCHEMBL8750066 0.83 USP30 (0.33) SMN1; SMN2CDK1BACE1USP30CCNB2
SCHEMBL10201761 0.83 USP30 (0.34) CDK1BACE1USP30CCNB2CCNB1
SCHEMBL15443696 0.83 USP30 (0.33) SMN1; SMN2CDK1BACE1USP30CCNB2
SCHEMBL6126516 0.82 CDK1 (0.33) CDK1BACE1USP30CCNB2CCNB1
SCHEMBL22361269 0.82 CDK1 (0.33) CDK1BACE1USP30CCNB2CCNB1
SCHEMBL18829278 0.82 CDK1 (0.33) CDK1BACE1USP30CCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885SMN1; SMN2 4352/4885CDK1 1242/4885

“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.