SCHEMBL3435563

SCHEMBL3435563

CC(C)(C)OC(=O)N1CC=C(c2c(F)cc(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.47
GRM5 P41594 10/20 0.47
PDK4 Q16654 1/20 0.46
CDK9 P50750 4/20 0.45
NAMPT P43490 1/20 0.41
CCNT1 O60563 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTR6 P50406 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL24678007 0.88 PDK4 (0.46) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL2079005 0.85 PDK4 (0.53) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL3435987 0.83 PDK4 (0.48) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL31462770 0.82 PDK4 (0.48) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL31639892 0.82 PDK4 (0.49) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL3817588 0.82 PDK4 (0.49) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL5019999 0.82 GRM1 (0.49) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL20835958 0.82 GRM1 (0.48) GRM1GRM5PDK4CDK9CCNT1
SCHEMBL29976423 0.81 NAMPT (0.50) GRM1GRM5PDK4NAMPTALDH1A1
SCHEMBL3985355 0.81 NAMPT (0.50) GRM1GRM5PDK4NAMPTALDH1A1

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 5 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-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 GRM1 1918/4885GRM5 1055/4885PDK4 1001/4885

“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.