SCHEMBL12259103

SCHEMBL12259103

CC(C)N1CCCC(c2nn[nH]n2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PEPD P12955 1/20 0.39
XPNPEP1 Q9NQW7 1/20 0.39
PARP1 P09874 3/20 0.37
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
KCNH2 Q12809 2/20 0.35
KDM5A P29375 1/20 0.34
PTGDR Q13258 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33

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
SCHEMBL12259069 1.00 HSD11B1 (0.41) HSD11B1DRD2DRD3PEPDXPNPEP1
SCHEMBL12258693 1.00 HSD11B1 (0.41) HSD11B1DRD2DRD3PEPDXPNPEP1
SCHEMBL12258702 0.91 KDM5A (0.36) HSD11B1PEPDXPNPEP1PARP1ITGB2
SCHEMBL12258733 0.91 KDM5A (0.36) HSD11B1PEPDXPNPEP1PARP1ITGB2
SCHEMBL9911081 0.80 HSD11B1 (0.43) HSD11B1DRD2DRD3PEPDXPNPEP1
SCHEMBL12259816 0.80 HSD11B1 (0.43) HSD11B1DRD2DRD3PEPDXPNPEP1
SCHEMBL15998448 0.77 HSD11B1 (0.41) HSD11B1DRD2DRD3PEPDXPNPEP1
SCHEMBL13804284 0.77 HSD11B1 (0.41) HSD11B1DRD2DRD3PEPDXPNPEP1
SCHEMBL13804311 0.77 HSD11B1 (0.41) HSD11B1DRD2DRD3PEPDXPNPEP1
SCHEMBL12258869 0.73 PARP1 (0.42) DRD2DRD3PARP1KCNH2PARP2

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-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 HSD11B1 4640/4885DRD2 4754/4885DRD3 4523/4885

“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.