SCHEMBL9985239

SCHEMBL9985239

C=CCC1(CC(=O)O)CCC2(CC1)OCC(C)(C)CO2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9986021 0.85 CYP1A2 (0.30) CYP1A2
SCHEMBL2043119 0.80 CYP1A2 (0.42) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL9985093 0.74
SCHEMBL14390606 0.73 ALDH1A1 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL225199 0.72 ALDH1A1 (0.57) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL19218042 0.66 HSD11B1 (0.34)
SCHEMBL10573301 0.65 ALDH1A1 (0.52) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL9985898 0.65 PTGS2 (0.30)
SCHEMBL7905900 0.64 ALDH1A1 (0.39) CYP1A2ALDH1A1LMNATSHR
SCHEMBL17256628 0.64

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 CYP1A2 58/4885USP2 2288/4885ALDH1A1 131/4885

“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.