SCHEMBL15906182

SCHEMBL15906182

COc1ccc(CN2CCCC2=O)c(OC)c1-c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
NLRP3 Q96P20 1/20 0.42
ACHE P22303 3/20 0.41
CD274 Q9NZQ7 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL15906178 0.88 BDKRB1 (0.44) BDKRB1KMT2AMAPK1NLRP3ACHE
SCHEMBL15906184 0.88 BDKRB1 (0.44) BDKRB1KMT2AMAPK1NLRP3ACHE
SCHEMBL8058534 0.87 BDKRB1 (0.45) BDKRB1KMT2AMAPK1ACHECD274
SCHEMBL3790292 0.85 KMT2A (0.42) BDKRB1KMT2AMAPK1ACHEMEN1
SCHEMBL13578460 0.84 BDKRB1 (0.41) BDKRB1KMT2AMAPK1ACHECD274
SCHEMBL15906127 0.78 PDE4B (0.47) BDKRB1KMT2ANLRP3ACHEMEN1
SCHEMBL15906183 0.77 KMT2A (0.44) BDKRB1KMT2AMAPK1NLRP3
SCHEMBL15906103 0.77 NLRP3 (0.46) NLRP3ADRA1DADRA1AMTNR1AMTNR1B
SCHEMBL8065126 0.76 BDKRB1 (0.45) BDKRB1KMT2AMAPK1ACHECD274
SCHEMBL8066192 0.76 BDKRB1 (0.45) BDKRB1KMT2AMAPK1ACHECD274

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.