SCHEMBL6736102

SCHEMBL6736102

CC(C)C(=O)N(Cc1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
MAPK14 Q16539 1/20 0.48
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MAOB P27338 1/20 0.42
RNF4 P78317 1/20 0.41
PDK1 Q15118 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 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
SCHEMBL6733763 0.86 MAPK14 (0.51) MAPK14MMP2MMP9ALDH1A1TRPM8
SCHEMBL6736436 0.84 MAPK14 (0.49) MAPK14MMP2MMP9ALDH1A1TRPM8
SCHEMBL6738576 0.84 MAPK14 (0.52) MAPK14MMP2MMP9ALDH1A1TRPM8
SCHEMBL7420781 0.84 CYP3A4 (0.44) MAPK14ALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL6739479 0.81 NPY5R (0.51) MLYCDMAPK14MMP2MMP9ALDH1A1
SCHEMBL6732824 0.80 HTT (0.48) MAPK14ALDH1A1TRPM8PDK1KDM4E
SCHEMBL6738604 0.79 GRM2 (0.58) ALDH1A1RNF4LTB4R2TSHRGAA
SCHEMBL4301089 0.78 MLYCD (0.46) MLYCDCYP1A2ALDH1A1PDK1SMN1; SMN2
SCHEMBL6730907 0.74 MAPK14 (0.42) MAPK14ALDH1A1TRPM8RNF4SMN1; SMN2
SCHEMBL16899931 0.74 CYP1A2 (0.54) MLYCDCYP1A2ALDH1A1TRPM8KDM4E

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-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 US claimed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed

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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 MLYCD 1787/4885MAPK14 3282/4885MMP2 4427/4885

“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.