SCHEMBL4451823

SCHEMBL4451823

CC(C)(C)OC(=O)N1CC=C(c2nccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 10/20 0.49
GRM5 P41594 9/20 0.49
TNK2 Q07912 2/20 0.46
WNT3A P56704 1/20 0.44
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
PDE10A Q9Y233 1/20 0.44
PDK4 Q16654 1/20 0.43
NAMPT P43490 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL4459443 0.86 GRM1 (0.54) GRM1GRM5TNK2PDK4NAMPT
SCHEMBL22328960 0.84 GRM1 (0.51) GRM1GRM5TNK2CDK9CCNT1
SCHEMBL17222886 0.83 NAMPT (0.52) GRM1GRM5PDK4NAMPT
SCHEMBL4152429 0.82 GRM1 (0.54) GRM1GRM5WNT3ACDK9CCNT1
SCHEMBL24962318 0.79 GRM1 (0.52) GRM1GRM5TNK2PDK4NAMPT
SCHEMBL4458384 0.79 GRM1 (0.54) GRM1GRM5TNK2WNT3APDE10A
SCHEMBL12537891 0.79 GRM1 (0.51) GRM1GRM5TNK2PDE10APDK4
SCHEMBL12537915 0.79 GRM1 (0.53) GRM1GRM5TNK2PDE10APDK4
SCHEMBL18326659 0.78 NAMPT (0.49) GRM1GRM5CDK9CCNT1PDK4
SCHEMBL2297459 0.78 NAMPT (0.58) GRM1GRM5TNK2PDK4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 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 (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-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 GRM1 337/4885GRM5 175/4885TNK2 2267/4885

“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.