SCHEMBL2143233

SCHEMBL2143233

CC(C)(C)OC(=O)NC1(c2ccnnc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.41
RAB9A P51151 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
DRD2 P14416 2/20 0.34
NAMPT P43490 1/20 0.34
PDE2A O00408 1/20 0.34
AKT2 P31751 1/20 0.33
TRPA1 O75762 1/20 0.33
KIT P10721 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
RORC P51449 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CYP17A1 P05093 1/20 0.33
ATR Q13535 1/20 0.33
EPHX2 P34913 1/20 0.33
APLNR P35414 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
SCHEMBL23778486 0.84 AKT1 (0.45) AKT1RAB9ACNR1CNR2DRD2
SCHEMBL23778929 0.82 RAB9A (0.48) AKT1RAB9ACNR1CNR2NAMPT
SCHEMBL24822317 0.80 AKT1 (0.43) AKT1CNR1CNR2DRD2PDE2A
SCHEMBL89859 0.79 AKT1 (0.42) AKT1RAB9ACNR1CNR2DRD2
SCHEMBL2713905 0.78 AKT1 (0.42) AKT1RAB9ACNR1CNR2DRD2
SCHEMBL18292853 0.78 VNN1 (0.40) AKT1
SCHEMBL2554955 0.78 AKT1 (0.47) AKT1RAB9ACNR1CNR2AKT2
SCHEMBL1669707 0.77 AKT1 (0.41) AKT1RAB9ACNR1CNR2PDE2A
SCHEMBL18551335 0.77 MIF (0.46) AKT1CNR1CNR2DRD2PDE2A
SCHEMBL22438589 0.76 AKT1 (0.41) AKT1CNR1CNR2DRD2PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
CN-102906080-A Compounds for the treatment of hepatitis C BRISTOL MYERS SQUIBB CO 2013-01-30 CN disclosed
EP-2545042-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8148382-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
WO-2011112191-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 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 (5 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-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 AKT1 2182/4885RAB9A 2224/4885CNR1 1711/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 AKT1 2182/4885RAB9A 2224/4885CNR1 1711/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 AKT1 2182/4885RAB9A 2224/4885CNR1 1711/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 AKT1 2182/4885RAB9A 2224/4885CNR1 1711/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 AKT1 2182/4885RAB9A 2224/4885CNR1 1711/4885

“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.