SCHEMBL7147108

SCHEMBL7147108

CCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)OC(C)C)c(F)cc1OCCO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.35
HIF1A Q16665 1/20 0.35
CYP2C9 P11712 2/20 0.34
RET P07949 2/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
IDO1 P14902 1/20 0.34
STK4 Q13043 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
ADRB1 P08588 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL7139776 0.92 GAA (0.36) PDE10AHIF1ACYP2C9RETKMT2A
SCHEMBL7144088 0.91 SCN9A (0.38) PDE10AHIF1ACYP2C9RETKMT2A
SCHEMBL7147081 0.89 MGLL (0.35) PDE10ARETKMT2AGAAKDM4E
SCHEMBL7144845 0.89 PDE10A (0.39) PDE10AHIF1ACYP2C9RETKMT2A
SCHEMBL7149114 0.86 F2 (0.42) PDE10AHIF1ACYP2C9KMT2AGAA
SCHEMBL7142761 0.84 F7 (0.38) RETKMT2AGAAKDM4EMEN1
SCHEMBL7148670 0.84 F7 (0.38) RETKMT2AGAAKDM4EMEN1
SCHEMBL7142757 0.84 F7 (0.38) RETKMT2AGAAKDM4EMEN1
SCHEMBL7144475 0.81 F10 (0.42) IDO1
SCHEMBL7141500 0.76 F7 (0.51)

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-6548694-B2 Anticoagulants HOFFMAN-LA ROCHE INC. 2003-04-15 US disclosed
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2002-01-10 US disclosed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO 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-20020004608-A1 N-(4-carbamimidoyl-phenyl)-glycine derivatives GLS, SLC6A5, GLRA1 PDE10A 942/4885HIF1A 1312/4885CYP2C9 587/4885

“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.