SCHEMBL2746929

SCHEMBL2746929

CC(C)(C)OC(=O)N1CC=C(c2cc(N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
PDK4 Q16654 1/20 0.46
CYP11B2 P19099 1/20 0.46
GRM1 Q13255 9/20 0.45
GRM5 P41594 8/20 0.45
NR1H2 P55055 1/20 0.44
TNK2 Q07912 2/20 0.43
HTR6 P50406 1/20 0.43
SOS1 Q07889 1/20 0.42
BTK Q06187 1/20 0.42
CDK7 P50613 1/20 0.41
CDK13 Q14004 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
SCHEMBL17222886 0.92 NAMPT (0.52) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL18326659 0.89 NAMPT (0.49) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL17229879 0.88 GRM1 (0.50) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL2297459 0.83 NAMPT (0.58) NAMPTPDK4GRM1GRM5TNK2
SCHEMBL794011 0.83 NAMPT (0.45) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL4153073 0.82 CYP11B2 (0.57) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL29579841 0.82 CYP11B2 (0.57) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL28672677 0.81 GRM1 (0.56) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL2908091 0.81 NAMPT (0.60) NAMPTPDK4CYP11B2GRM1GRM5
SCHEMBL29227506 0.81 NAMPT (0.60) NAMPTPDK4CYP11B2GRM1GRM5

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
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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 (2 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET NAMPT 773/4885PDK4 1672/4885CYP11B2 67/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET NAMPT 773/4885PDK4 1672/4885CYP11B2 67/4885

“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.