SCHEMBL12316638

SCHEMBL12316638

O=C1CCOc2cc(OC3CCCC3)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.43
MAOB P27338 4/20 0.40
MAOA P21397 1/20 0.40
HPGD P15428 2/20 0.39
SCN9A Q15858 1/20 0.39
PTGS2 P35354 1/20 0.38
KMO O15229 4/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PPOX P50336 1/20 0.37
GRM5 P41594 4/20 0.37
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL12316617 0.88 MAP2K1 (0.40) MAOBMAOAGRM5
SCHEMBL12316613 0.86 HTR1A (0.40) MAOBMAOAKMOHTR1ASLC6A4
SCHEMBL12316658 0.83 PTGS2 (0.41) MAOBMAOAHPGDPTGS2PDE4A
SCHEMBL12316612 0.82 PRMT5 (0.40) MAOBMAOAPDE4BHTR1ASLC6A4
SCHEMBL30888618 0.80 MAOB (0.44) MAOBMAOAHPGDGRM5NPC1
SCHEMBL12316615 0.78 GPR119 (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL12316536 0.78 HPGD (0.44) CSNK2A1HPGDSCN9AKMOPDE4A
SCHEMBL12316660 0.77 CSNK2A1 (0.44) CSNK2A1HPGDSCN9AKMOPDE4A
SCHEMBL12316789 0.77 PDE4B (0.45) CSNK2A1MAOBMAOAHPGDPTGS2
SCHEMBL1694551 0.77 MAOB (0.53) MAOBMAOAHPGDGRM5NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 CSNK2A1 4629/4885MAOB 1632/4885MAOA 2192/4885

“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.