SCHEMBL6866905

SCHEMBL6866905

CC(C)(C)OC(=O)N1CC=C(c2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)CC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.51
NAMPT P43490 1/20 0.44
CNR1 P21554 1/20 0.42
GRM5 P41594 6/20 0.42
GRM1 Q13255 6/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
MAPK14 Q16539 7/20 0.41
HTR6 P50406 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
DGAT2 Q96PD7 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
SCHEMBL6670366 0.91 MAPK14 (0.51) PDK4NAMPTCNR1GRM5GRM1
SCHEMBL6866299 0.89 MAPK14 (0.50) PDK4NAMPTCNR1GRM5GRM1
SCHEMBL6670057 0.89 MAPK14 (0.55) PDK4MAPK14MAPK13MAPK12MAPK11
SCHEMBL6865882 0.88 GRM5 (0.43) PDK4NAMPTCNR1GRM5GRM1
SCHEMBL6668930 0.88 MAPK14 (0.45) PDK4NAMPTCNR1GRM5GRM1
SCHEMBL6669750 0.85 PDK4 (0.42) PDK4NAMPTCNR1GRM5GRM1
SCHEMBL6864402 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6670222 0.78 MAPK14 (0.61) PDK4NAMPTCNR1MAPK14HTR6
SCHEMBL6671657 0.78 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL30135250 0.78 PDK4 (0.68) PDK4NAMPTCNR1GRM5GRM1

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-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 PDK4 718/4885NAMPT 2914/4885CNR1 879/4885

“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.