SCHEMBL2079005

SCHEMBL2079005

CC(C)(C)OC(=O)N1CC=C(c2c(F)cccc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.53
GRM1 Q13255 11/20 0.52
GRM5 P41594 11/20 0.52
NAMPT P43490 1/20 0.46
CDK9 P50750 2/20 0.43
HTR6 P50406 1/20 0.43
P2RX3 P56373 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL17857386 0.88 PDK4 (0.54) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL30270466 0.88 PDK4 (0.63) PDK4GRM1GRM5NAMPTCDK9
SCHEMBL3435987 0.88 PDK4 (0.48) PDK4GRM1GRM5NAMPTCDK9
SCHEMBL31462770 0.87 PDK4 (0.48) PDK4GRM1GRM5NAMPTCDK9
SCHEMBL30193218 0.85 PDK4 (0.59) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL3435563 0.85 GRM1 (0.47) PDK4GRM1GRM5NAMPTCDK9
SCHEMBL24678243 0.85 PDK4 (0.46) PDK4GRM1GRM5NAMPTCDK9
SCHEMBL3545758 0.84 PDK4 (0.58) PDK4GRM1GRM5NAMPTCDK9
SCHEMBL3466789 0.84 PDK4 (0.58) PDK4GRM1GRM5NAMPTCDK9
SCHEMBL28775947 0.83 ALDH1A1 (0.39) GRM1GRM5ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 PDK4 1001/4885GRM1 1918/4885GRM5 1055/4885

“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.