SCHEMBL3289343

SCHEMBL3289343

O=C1CCC(=O)N(CCCCCl)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.46
DRD3 P35462 6/20 0.46
DRD4 P21917 5/20 0.43
CHRM2 P08172 4/20 0.43
CHRM4 P08173 4/20 0.43
CHRM5 P08912 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM3 P20309 4/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH3A1 P30838 1/20 0.42
CES1 P23141 2/20 0.41
CDC25A P30304 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1035991 0.82 DRD2 (0.61) DRD2DRD3DRD4CHRM2CHRM4
Hydrochloric Acid SCHEMBL3297784 0.82 GRIN1 (0.54) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL5699586 0.81 DRD2 (0.60) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL1039371 0.81 DRD2 (0.60) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL3290413 0.80 MEN1 (0.48) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL3292683 0.80 DRD2 (0.58) DRD2DRD3DRD4CHRM2CHRM4
Hydrochloric Acid SCHEMBL3289369 0.80 DRD2 (0.58) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL3294390 0.80 DRD2 (0.62) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL3290421 0.80 DRD2 (0.52) DRD2DRD3DRD4CHRM2CHRM4
SCHEMBL3290515 0.78 DRD2 (0.43) DRD2DRD3DRD4CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US disclosed
EP-1692129-B1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-08-20 EP disclosed
US-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 US disclosed
EP-1692129-A1 KETO LACTAM COMPOUNDS AND USE THEREOF Abbott GmbH & Co. KG (DE) 2006-08-23 EP disclosed
WO-2005056546-A1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2005-06-23 WO 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-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 DRD2 7/4885DRD3 2/4885DRD4 19/4885

“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.