SCHEMBL9985346

SCHEMBL9985346

CCOC(=O)C1CCC(O)(CC(O)CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LIPE Q05469 1/20 0.35
HSD11B1 P28845 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35

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
SCHEMBL16840450 0.81 MAPT (0.46) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21061853 0.79 MAPT (0.47) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL21061555 0.76 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL25309557 0.76 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL20855705 0.76 MAPT (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL18255889 0.75 MAPT (0.44) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL9388403 0.75 L3MBTL1 (0.49) MAPTALDH1A1KDM4E
SCHEMBL16841463 0.74 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251803 0.74 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4251805 0.74 MAPT (0.49) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585444-B1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
EP-2585444-B1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8765744-B2 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765744-B2 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765744-B2 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
EP-2585444-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS Boehringer Ingelheim International GmbH (DE) 2013-05-01 EP disclosed
US-20120190675-A1 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-26 US disclosed
US-20120190675-A1 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-26 US disclosed
US-20120190675-A1 Azaspirohexanones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-26 US disclosed
WO-2011161128-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-29 WO disclosed
WO-2011161128-A1 AZASPIROHEXANONES AS INHIBITORS OF 11-BETA-HSD1 FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-29 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-20120190675-A1 Azaspirohexanones HSD11B1, HSD3B1, HSD17B1 MAPT 4827/4885ALDH1A1 131/4885CYP3A4 123/4885

“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.