SCHEMBL7144845

SCHEMBL7144845

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 5/20 0.38
F7 P08709 4/20 0.38
F3 P13726 3/20 0.38
PRSS1 P07477 3/20 0.38
F2 P00734 3/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
CYP2C9 P11712 2/20 0.38
RET P07949 2/20 0.36
IDO1 P14902 1/20 0.36
STK4 Q13043 1/20 0.35
HIF1A Q16665 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
SCHEMBL7139776 0.92 GAA (0.36) PDE10AGAAKDM4EKMT2ACYP2C9
SCHEMBL7147081 0.89 MGLL (0.35) PDE10AGAAKDM4EKMT2ARET
SCHEMBL7147108 0.89 PDE10A (0.35) PDE10AGAAKDM4EKMT2ACYP2C9
SCHEMBL7144088 0.89 SCN9A (0.38) PDE10AGAAKDM4EKMT2ACYP2C9
SCHEMBL7149114 0.88 F2 (0.42) PDE10AGAAKMT2AF10F7
SCHEMBL5883280 0.85 F7 (0.53) GAAKDM4EKMT2AF10F7
SCHEMBL5883884 0.84 F10 (0.38) GAAKDM4EKMT2AF10F7
SCHEMBL5882529 0.83 F10 (0.38) GAAKDM4EKMT2AF10F7
SCHEMBL7141690 0.83 F7 (0.58) F10F7F3PRSS1F2
SCHEMBL7139643 0.83 F7 (0.58) F10F7F3PRSS1F2

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 942/4885GAA 1839/4885KDM4E 2761/4885

“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.