SCHEMBL15906178

SCHEMBL15906178

COc1c(CN2CCCC2=O)ccc(O)c1-c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.44
KMT2A Q03164 4/20 0.41
MAPK1 P28482 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ACHE P22303 3/20 0.37
NQO2 P16083 1/20 0.37
CNR2 P34972 1/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL15906182 0.88 BDKRB1 (0.43) BDKRB1KMT2AMAPK1NLRP3MTNR1A
SCHEMBL8066192 0.88 BDKRB1 (0.45) BDKRB1KMT2AMAPK1MTNR1AMTNR1B
SCHEMBL15906183 0.87 KMT2A (0.44) BDKRB1KMT2AMAPK1NLRP3CNR2
SCHEMBL10440490 0.85 BDKRB1 (0.41) BDKRB1KMT2AMAPK1ALDH1A1NPC1
SCHEMBL13578463 0.85 BDKRB1 (0.41) BDKRB1KMT2AMAPK1MTNR1AMTNR1B
SCHEMBL15906184 0.83 BDKRB1 (0.44) BDKRB1KMT2AMAPK1NLRP3MTNR1A
SCHEMBL8058534 0.78 BDKRB1 (0.45) BDKRB1KMT2AMAPK1MTNR1AMTNR1B
SCHEMBL13578460 0.75 BDKRB1 (0.41) BDKRB1KMT2AMAPK1MTNR1AMTNR1B
SCHEMBL16158946 0.75 KMT2A (0.48) BDKRB1KMT2AMAPK1NLRP3L3MBTL1
SCHEMBL3790292 0.74 KMT2A (0.42) BDKRB1KMT2AMAPK1ACHEALDH1A1

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 2 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

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-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B BDKRB1 170/4885KMT2A 1434/4885MAPK1 1494/4885

“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.