SCHEMBL3320543

SCHEMBL3320543

CC(C)(CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 2/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 1/20 0.47
MLNR O43193 2/20 0.46
NPC1 O15118 1/20 0.45
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
USP2 O75604 2/20 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
SCHEMBL3319753 0.86 FAAH (0.56) FAAHCYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL6135913 0.84 LMNA (0.56) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL3318521 0.82 FAAH (0.54) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3320541 0.80 TSHR (0.53) FAAHCYP1A2CYP2C9TSHRMEN1
SCHEMBL3321523 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1DPP4DPP8
SCHEMBL3320697 0.78 MC4R (0.60) FAAHMEN1KMT2AALDH1A1NPC1
SCHEMBL3317751 0.77 HRH3 (0.61) TSHRMEN1KMT2ASMN1; SMN2USP2
SCHEMBL1066770 0.77 CYP3A4 (0.60) FAAHCYP1A2CYP2C9TSHRMEN1
SCHEMBL1068618 0.76 FAAH (0.67) FAAHCYP1A2CYP2C9TSHRMEN1
SCHEMBL3315587 0.75 KDM4E (0.61) ALDH1A1MAPT

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 1160/4885CYP1A2 489/4885CYP2C9 847/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 FAAH 1166/4885CYP1A2 557/4885CYP2C9 1009/4885

“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.