SCHEMBL2394954

SCHEMBL2394954

CC(C)(C)OC(=O)C1(C(=O)OCc2ccccc2)CC1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SYK P43405 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CTSL P07711 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL25213325 0.83 ALDH1A1 (0.46) ALDH1A1DDB1CRBNCYP17A1CYP19A1
SCHEMBL32674103 0.80 ALDH1A1 (0.53) ALDH1A1DDB1CRBNCYP17A1CYP19A1
SCHEMBL28046725 0.77 POLB (0.35) ALDH1A1MAPK1SLC6A2KMT2AKDM1A
SCHEMBL15927917 0.76 L3MBTL1 (0.41) ALDH1A1SYKL3MBTL1KMT2A
SCHEMBL16865202 0.76 ALDH1A1 (0.49) ALDH1A1DDB1CRBNCYP17A1CYP19A1
SCHEMBL29594672 0.76 HTR2C (0.42) CTSLKMT2A
SCHEMBL4831322 0.76 ALDH1A1 (0.45) ALDH1A1SYKDDB1CRBN
SCHEMBL32674206 0.75 ALDH1A1 (0.50) ALDH1A1DDB1CRBNCYP17A1CYP19A1
SCHEMBL25317306 0.75 ALDH1A1 (0.50) ALDH1A1DDB1CRBNCYP17A1CYP19A1
SCHEMBL15927919 0.74 L3MBTL1 (0.40) ALDH1A1SYKL3MBTL1

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-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
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 ALDH1A1 1552/4885SYK 678/4885DDB1 2514/4885

“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.