SCHEMBL4539768

SCHEMBL4539768

Nc1cc(C2CCCCC2c2ccc(F)cc2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.60
KDM1A O60341 2/20 0.41
HDAC4 P56524 1/20 0.39
NOS3 P29474 5/20 0.37
NOS2 P35228 5/20 0.37
NOS1 P29475 4/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR2B P41595 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A9 P48067 3/20 0.34
SLC6A5 Q9Y345 3/20 0.34
OPRM1 P35372 2/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL4539761 1.00 NR3C2 (0.60) NR3C2KDM1AHDAC4NOS3NOS2
SCHEMBL4539765 1.00 NR3C2 (0.60) NR3C2KDM1AHDAC4NOS3NOS2
SCHEMBL18192105 0.78 AR (0.40) NR3C2NOS3NOS2NOS1CHRNA7
SCHEMBL29294148 0.78 NOS3 (0.41) NR3C2NOS3NOS2NOS1CHRNA7
SCHEMBL15465075 0.78 AR (0.40) NR3C2NOS3NOS2NOS1CHRNA7
SCHEMBL15465077 0.78 AR (0.40) NR3C2NOS3NOS2NOS1CHRNA7
SCHEMBL4543715 0.76 NR3C2 (1.00) NR3C2MAPK14
SCHEMBL22272915 0.74 BACE1 (0.49) HDAC4NOS3NOS2NOS1CHRNA7
SCHEMBL15465530 0.74 AR (0.38) NR3C2NOS3NOS2NOS1CHRNA7
SCHEMBL18192120 0.74 AR (0.38) NR3C2NOS3NOS2NOS1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
EP-2638012-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-09-18 EP disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
WO-2012064631-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-18 WO disclosed
WO-2012064631-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-18 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-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, AVPR2 NR3C2 1/4885KDM1A 4708/4885HDAC4 1804/4885

“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.