SCHEMBL3290503

SCHEMBL3290503

O=C1CCC(=O)N(CCCCN2CCCN3CCCCC3C2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.60
GRIN2B Q13224 1/20 0.60
HTR7 P34969 5/20 0.45
HTR1A P08908 3/20 0.45
DRD3 P35462 6/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
DRD2 P14416 5/20 0.43
CHRM2 P08172 5/20 0.43
CHRM4 P08173 5/20 0.43
CHRM5 P08912 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM3 P20309 5/20 0.43
DRD4 P21917 4/20 0.43
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
OPRM1 P35372 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
SCHEMBL3291823 0.93 GRIN1 (0.64) GRIN1GRIN2BHTR7HTR1ADRD3
Hydrochloric Acid SCHEMBL3297784 0.83 GRIN1 (0.54) GRIN1GRIN2BHTR7HTR1ADRD3
Trifluoroacetic Acid SCHEMBL3292887 0.79 GRIN1 (0.66) GRIN1GRIN2BDRD3DRD2CHRM2
Trifluoroacetic Acid SCHEMBL5699605 0.79 GRIN1 (0.66) GRIN1GRIN2BDRD3DRD2CHRM2
Trifluoroacetic Acid SCHEMBL5699544 0.79 GRIN1 (0.66) GRIN1GRIN2BDRD3DRD2CHRM2
Trifluoroacetic Acid SCHEMBL3291179 0.79 GRIN1 (0.66) GRIN1GRIN2BDRD3DRD2CHRM2
Trifluoroacetic Acid SCHEMBL5699540 0.75 DRD2 (0.54) GRIN1GRIN2BDRD3DRD2CHRM2
SCHEMBL3291399 0.75 DRD2 (0.47) GRIN1GRIN2BHTR7HTR1ADRD3
Trifluoroacetic Acid SCHEMBL3291917 0.75 DRD2 (0.54) GRIN1GRIN2BDRD3DRD2CHRM2
SCHEMBL3294289 0.75 DRD2 (0.47) GRIN1GRIN2BHTR7HTR1ADRD3

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-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US 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 GRIN1 121/4885GRIN2B 497/4885HTR7 891/4885

“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.