SCHEMBL12258702

SCHEMBL12258702

CC(C)N1CC[C@@H](c2nn[nH]n2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.36
HSD11B1 P28845 2/20 0.35
LTA4H P09960 2/20 0.35
PARP1 P09874 2/20 0.35
PEPD P12955 1/20 0.35
XPNPEP1 Q9NQW7 1/20 0.35
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
GRIK1 P39086 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK4 Q16099 1/20 0.33
GRIK5 Q16478 1/20 0.33
HTR4 Q13639 1/20 0.32

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
SCHEMBL12258733 1.00 KDM5A (0.36) KDM5AHSD11B1LTA4HPARP1PEPD
SCHEMBL12259069 0.91 HSD11B1 (0.41) KDM5AHSD11B1PARP1PEPDXPNPEP1
SCHEMBL12259103 0.91 HSD11B1 (0.41) KDM5AHSD11B1PARP1PEPDXPNPEP1
SCHEMBL12258693 0.91 HSD11B1 (0.41) KDM5AHSD11B1PARP1PEPDXPNPEP1
SCHEMBL12258707 0.78 LTA4H (0.40) HSD11B1LTA4HPEPDXPNPEP1GRIK1
SCHEMBL13804315 0.75 LTA4H (0.43) HSD11B1LTA4HPEPDXPNPEP1GRIK1
SCHEMBL9911081 0.72 HSD11B1 (0.43) HSD11B1LTA4HPARP1PEPDXPNPEP1
SCHEMBL12259816 0.72 HSD11B1 (0.43) HSD11B1LTA4HPARP1PEPDXPNPEP1
SCHEMBL2737377 0.71 PDE9A (0.44) PARP1HTR4
SCHEMBL12258726 0.71 PARP1 (0.35) PARP1HTR4

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 3 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

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 KDM5A 1402/4885HSD11B1 4640/4885LTA4H 612/4885

“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.