SCHEMBL12337286

SCHEMBL12337286

CCN1CCNC(C(=O)NC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
KCNH2 Q12809 1/20 0.41
MC4R P32245 3/20 0.41
MC5R P33032 2/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
THRB P10828 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL12337422 0.83 CCR2 (0.44) CCR2KCNH2MC4RMC5RMAPT
SCHEMBL12337452 0.79 CCR2 (0.41) CCR2KCNH2MC4RMC5RMAPT
SCHEMBL12312782 0.78 CCR2 (0.42) CCR2MC4RMC5RADRA1DADRA1A
SCHEMBL6577891 0.77 MAPT (0.63) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL30831133 0.77 MAPT (0.46) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL8402249 0.77 ADRA1D (0.41) MC4RMC5RADRA1DADRA1AADRA1B
SCHEMBL8402002 0.77 ADRA1D (0.41) MC4RMC5RADRA1DADRA1AADRA1B
SCHEMBL8402001 0.77 ADRA1D (0.41) MC4RMC5RADRA1DADRA1AADRA1B
SCHEMBL23906808 0.76 CCR2 (0.44) CCR2KCNH2MAPTGRIN2DGRIN3B
SCHEMBL25873417 0.76 CCR2 (0.44) CCR2KCNH2MAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263781-B2 Substituted aminothiazolone indazoles as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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 (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-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R CCR2 2766/4885KCNH2 4463/4885MC4R 108/4885

“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.