SCHEMBL12259449

SCHEMBL12259449

CC(C)C(=O)N1CCC(C(C)C)(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
CYP2D6 P10635 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MET P08581 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 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
SCHEMBL13741580 0.81 OPRD1 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12258778 0.80 PIK3CD (0.45) CYP2D6ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL21028193 0.80 CYP1A2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2739925 0.80 DPP4 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19755878 0.80 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13751427 0.78 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL674660 0.78
SCHEMBL22753493 0.78 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546617 0.78 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25446997 0.77 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 CHRNB2 3608/4885CHRNA3 2229/4885CHRNA4 2640/4885

“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.