SCHEMBL2085302

SCHEMBL2085302

CCCC(CCC)c1cccc2[nH]c(=O)n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.40
HTR1A P08908 10/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
DAO P14920 2/20 0.39
DPP4 P27487 1/20 0.38
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2084761 0.88 ADORA3 (0.42) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL25817348 0.80 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL4639176 0.77 DAO (0.46) LMNADAOCYP1A2MEN1KMT2A
SCHEMBL13015485 0.73 DAO (0.48) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL2085663 0.72 RXFP1 (0.34) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL13015480 0.71 DAO (0.66) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL3288733 0.71 HTR1A (0.44) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL3285641 0.71 HTR1A (0.44) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL8471506 0.70 CYP1A2 (0.43) LMNAHTR1ADRD2DRD3DAO
SCHEMBL25122976 0.70 MEN1 (0.51) ADORA3ADORA2AADORA2BADORA1LMNA

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 ADORA3 295/4885ADORA2A 658/4885ADORA2B 497/4885

“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.