SCHEMBL2260381

SCHEMBL2260381

CC1(C)C(=O)Nc2ccc(F)c(F)c21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.49
PDK2 Q15119 2/20 0.41
PDK4 Q16654 2/20 0.41
MAOB P27338 1/20 0.37
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
ADRA2C P18825 1/20 0.34
TACR2 P21452 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
PTH1R Q03431 1/20 0.34
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL15004806 0.83 PGR (0.48) PGRPDK2PDK4MAOBPDK1
SCHEMBL4812028 0.81 PGR (0.47) PGRPDK2PDK4MAOBPDE3B
SCHEMBL30642187 0.79 PDK2 (0.50) PGRPDK2PDK4MAOBPDE3B
SCHEMBL31381642 0.78 PDK2 (0.52) PGRPDK2PDK4MAOBPDK1
SCHEMBL3865185 0.78 PDK2 (0.52) PGRPDK2PDK4MAOBPDK1
SCHEMBL31727513 0.76 HTR6 (0.41) PGRADRA2CTACR2ADRA1DHTR2A
SCHEMBL15004747 0.76 PGR (0.45) PGRPDK2PDK4AR
SCHEMBL31381799 0.74 PGR (0.41) PGRPDK2PDK4
SCHEMBL24690660 0.71 PGR (0.45) PGRPDK2PDK4MAOBPDE3B
SCHEMBL31727696 0.70 ADRA2C (0.33) PGRADRA2CTACR2ADRA1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225223-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA PGR 1637/4885PDK2 2476/4885PDK4 2467/4885

“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.