SCHEMBL7147090

SCHEMBL7147090

CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(OCC2CCN(C)CC2)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.53
F7 P08709 2/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
F3 P13726 1/20 0.41
PRSS3 P35030 1/20 0.41
SIGMAR1 Q99720 4/20 0.36
SSTR4 P31391 1/20 0.36
ENPP1 P22413 1/20 0.35
NAMPT P43490 2/20 0.35
FGFR4 P22455 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 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
SCHEMBL7150382 0.91 F10 (0.47) F10F7F2PRSS1PRSS2
SCHEMBL7150386 0.91 F10 (0.47) F10F7F2PRSS1PRSS2
SCHEMBL6866547 0.90 F10 (0.65) F10F7F2PRSS1PRSS2
SCHEMBL6871565 0.89 GPR119 (0.44) F10LMNAMAPT
SCHEMBL6875241 0.87 F10 (0.56) F10F7F2PRSS1PRSS2
SCHEMBL7147985 0.87 F10 (0.56) F10F7F2PRSS1PRSS2
SCHEMBL7149887 0.87 F10 (0.43) F10F7PRSS1PRSS2F3
Acetic Acid SCHEMBL7152301 0.85 F10 (0.69) F10F7F2PRSS1PRSS2
SCHEMBL6876448 0.83 GPR119 (0.43) F10LMNAMAPT
SCHEMBL6875968 0.83 F10 (0.56) F10F7F2PRSS1PRSS2

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-6642386-B2 Having alkoxy, halo and piperidin-4-yl substituents; water soluble; coagulation factors Xa and IXa, thrombin induced factor VIIa and tissue factor inhibitors HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-04 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-20030166683-A1 N-(4-CARBAMIMIDOYL-PHENYL)-GLYCINE DERIVATIVES F2, F12, F5 F10 7/4885F7 5/4885F2 1/4885

“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.