SCHEMBL7150817

SCHEMBL7150817

CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(O[C@@H]2CCCN(CCO)C2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.51
DGAT2 Q96PD7 1/20 0.39
F7 P08709 4/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
F3 P13726 3/20 0.37
PRSS3 P35030 3/20 0.37
F2 P00734 2/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD4 P21917 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRKAA2 P54646 1/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
HRH3 Q9Y5N1 3/20 0.34
HAT1 O14929 2/20 0.33
EP300 Q09472 2/20 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
SCHEMBL6871337 1.00 F10 (0.51) F10DGAT2F7PRSS1PRSS2
SCHEMBL6871497 0.91 F10 (0.49) F10DGAT2F7PRSS1PRSS2
SCHEMBL7153041 0.91 F10 (0.49) F10DGAT2F7PRSS1PRSS2
SCHEMBL6875968 0.91 F10 (0.56) F10F7PRSS1PRSS2F3
SCHEMBL6875241 0.91 F10 (0.56) F10DGAT2F7PRSS1PRSS2
SCHEMBL7147985 0.91 F10 (0.56) F10DGAT2F7PRSS1PRSS2
SCHEMBL6866547 0.88 F10 (0.65) F10DGAT2F7PRSS1PRSS2
SCHEMBL7153306 0.88 F10 (0.68) F10F7PRSS1PRSS2F3
SCHEMBL6871860 0.88 F10 (0.68) F10F7PRSS1PRSS2F3
Hydrochloric Acid SCHEMBL6871858 0.87 F10 (0.67) F10F7PRSS1PRSS2F3

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 7/4885DGAT2 4637/4885F7 5/4885

“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.