SCHEMBL3319749

SCHEMBL3319749

CC(C)([CH]C(=O)N1CCN(Cc2cccc(C#N)c2)CC1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
RORC P51449 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GPR6 P46095 2/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
CHRM4 P08173 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CHRM3 P20309 1/20 0.41
CCR3 P51677 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MLNR O43193 1/20 0.41

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
SCHEMBL3320541 0.87 TSHR (0.53) FAAHALDH1A1
SCHEMBL6135909 0.83 ALDH1A1 (0.55) FAAHALDH1A1HTT
SCHEMBL3319753 0.82 FAAH (0.56) FAAHRORCDRD2DRD3GPR6
SCHEMBL3320695 0.79 MC4R (0.59) FAAH
SCHEMBL3321521 0.78 COMT (0.41) SIRT2SIRT1ALDH1A1
SCHEMBL29809169 0.78 FAAH (0.59) FAAHRORCDRD2DRD3GPR6
SCHEMBL8540941 0.78 FAAH (0.59) FAAHRORCDRD2DRD3GPR6
SCHEMBL2926678 0.78 FAAH (0.72) FAAHRORCGPR6CHRM4CHRM3
SCHEMBL3315585 0.77 KDM4E (0.54) ALDH1A1
SCHEMBL6865185 0.77 FAAH (0.60) FAAHRORCGPR6JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 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 (2 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 FAAH 1160/4885RORC 3087/4885DRD2 568/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 FAAH 1166/4885RORC 3330/4885DRD2 547/4885

“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.