SCHEMBL10440490

SCHEMBL10440490

COc1c(CN2CCCC2=O)ccc(O)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.41
KMT2A Q03164 4/20 0.40
SLC6A4 P31645 1/20 0.39
ABCB1 P08183 2/20 0.39
ABCC1 P33527 1/20 0.39
MEN1 O00255 3/20 0.38
GFER P55789 1/20 0.38
RAB9A P51151 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PDE4B Q07343 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 5/20 0.37

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
SCHEMBL3790292 0.90 KMT2A (0.42) BDKRB1KMT2ASLC6A4ABCB1MEN1
SCHEMBL3793583 0.87 KMT2A (0.41) BDKRB1KMT2AMEN1RAB9AIRAK4
SCHEMBL15906178 0.85 BDKRB1 (0.44) BDKRB1KMT2ANPC1MAPK1ALDH1A1
SCHEMBL10440588 0.85 ABCB1 (0.43) BDKRB1KMT2ASLC6A4ABCB1ABCC1
SCHEMBL8066192 0.83 BDKRB1 (0.45) BDKRB1KMT2ANPC1MAPK1
SCHEMBL13578463 0.83 BDKRB1 (0.41) BDKRB1KMT2ANPC1MAPK1
SCHEMBL16158627 0.81 BDKRB1 (0.43) BDKRB1KMT2ASLC6A4RAB9APDE4B
SCHEMBL3788376 0.76 PELI1 (0.46) KMT2AMEN1RAB9AIRAK4PDE4B
SCHEMBL5028214 0.76 CTSB (0.57) KMT2AMEN1RAB9AMAPK1ALDH1A1
SCHEMBL15906182 0.74 BDKRB1 (0.43) BDKRB1KMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US 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 (2 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B BDKRB1 170/4885KMT2A 1434/4885SLC6A4 1353/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B BDKRB1 170/4885KMT2A 1434/4885SLC6A4 1353/4885

“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.