SCHEMBL2085663

SCHEMBL2085663

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.33
DPP4 P27487 1/20 0.33
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PABPC1 P11940 1/20 0.33
HSD17B10 Q99714 1/20 0.32
DRD1 P21728 1/20 0.32
POLB P06746 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA2B P29275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
MAOB P27338 1/20 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
SCHEMBL2085302 0.72 ADORA3 (0.41) LMNADPP4KMT2AMEN1ADORA3
SCHEMBL3293146 0.70 UTS2R (0.41) RXFP1LMNADPP4PDE3BPDE3A
SCHEMBL2085479 0.69 SMN1; SMN2 (0.34) KDM4ESMN1; SMN2
SCHEMBL2084768 0.69 PDE3B (0.45) RXFP1LMNADPP4PDE3BPDE3A
SCHEMBL3286320 0.69 RXFP1 (0.41) RXFP1LMNADPP4PDE3BPDE3A
SCHEMBL6644837 0.69 RXFP1 (0.57) RXFP1LMNADPP4PDE3BPDE3A
SCHEMBL2084761 0.69 ADORA3 (0.42) LMNADPP4KMT2AMEN1POLB
SCHEMBL2084599 0.66 PDE3B (0.36) RXFP1LMNADPP4PDE3BPDE3A
SCHEMBL2084597 0.66 PDE3B (0.36) RXFP1LMNADPP4PDE3BPDE3A
SCHEMBL2084601 0.66 PDE3B (0.36) RXFP1LMNADPP4PDE3BPDE3A

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 RXFP1 87/4885LMNA 4218/4885DPP4 1366/4885

“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.