SCHEMBL2321844

SCHEMBL2321844

N#Cc1ccc(C2=CCOCC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
EGLN2 Q96KS0 4/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
ELANE P08246 2/20 0.37
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
HTR6 P50406 1/20 0.34
MAPK14 Q16539 4/20 0.34
CSNK1E P49674 2/20 0.34
CSNK1D P48730 1/20 0.34
CSF1R P07333 1/20 0.34
PNMT P11086 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL250220 0.82 AR (0.44) PIK3CAMTORELANEPDE3BPDE3A
SCHEMBL29552184 0.77 PDE3B (0.36) PIK3CAPIK3CBMTORPIK3CGPDE3B
SCHEMBL6395910 0.77 PDE3B (0.36) PIK3CAPIK3CBMTORPIK3CGPDE3B
SCHEMBL250335 0.76 FABP7 (0.40) PIK3CDPIK3CAMAPK14
SCHEMBL16762060 0.76 CYP11B2 (0.46) CYP11B1CYP11B2EGLN2PIK3CDPIK3R1
SCHEMBL30928085 0.75 HTR6 (0.59) CYP11B1CYP11B2HTR6PNMTDRD2
SCHEMBL18695403 0.75 GPBAR1 (0.42) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL29223206 0.75 HTR6 (0.59) CYP11B1CYP11B2HTR6PNMTDRD2
SCHEMBL29438071 0.75 GPBAR1 (0.42) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL3125983 0.73 CYP11B2 (0.44) CYP11B1CYP11B2EGLN2PIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
US-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 US disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 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-20130196964-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS HIF1AN, HIF1A, VHL CYP11B1 103/4885CYP11B2 77/4885EGLN2 5/4885

“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.