SCHEMBL2084599

SCHEMBL2084599

CC/C=C(/CC)c1nccc2[nH]c(=O)n(C)c12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD1 P21728 3/20 0.32
P2RY12 Q9H244 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
CDK1 P06493 1/20 0.31
MAOB P27338 2/20 0.30
DAO P14920 2/20 0.30

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
SCHEMBL2084601 1.00 PDE3B (0.36) PDE3BPDE3ARXFP1LMNAL3MBTL1
SCHEMBL2084597 1.00 PDE3B (0.36) PDE3BPDE3ARXFP1LMNAL3MBTL1
SCHEMBL2085117 0.70 ADORA3 (0.39) LMNADPP4MEN1KMT2AADORA3
SCHEMBL2085115 0.70 ADORA3 (0.39) LMNADPP4MEN1KMT2AADORA3
SCHEMBL3286320 0.69 RXFP1 (0.41) PDE3BPDE3ARXFP1LMNADPP4
SCHEMBL2084768 0.69 PDE3B (0.45) PDE3BPDE3ARXFP1LMNADPP4
SCHEMBL6644837 0.69 RXFP1 (0.57) PDE3BPDE3ARXFP1LMNADPP4
SCHEMBL2085663 0.66 RXFP1 (0.34) PDE3BPDE3ARXFP1LMNAL3MBTL1
SCHEMBL2082194 0.65 KDM4E (0.48) RXFP1LMNADPP4MEN1PABPC1
SCHEMBL2313749 0.63 CYP3A4 (0.47) PDE3BPDE3ARXFP1LMNAADORA2A

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-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-20090312383-A1 Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 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-20090312383-A1 Fused Heterocyclic Compounds NPY4R, CRHR1, CNR1 PDE3B 2049/4885PDE3A 2738/4885RXFP1 87/4885

“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.