SCHEMBL6133713

SCHEMBL6133713

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCC(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADA P00813 7/20 0.38
PHF8 Q9UPP1 1/20 0.38
SCN9A Q15858 1/20 0.37
CACNA1G O43497 6/20 0.35
CACNA1H O95180 6/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
CACNA1I Q9P0X4 4/20 0.34
OXTR P30559 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
SCHEMBL6172025 0.86 LPAR1 (0.42) ADAKDM4C
SCHEMBL6171094 0.86 ADA (0.40) ADA
Hydrochloric Acid SCHEMBL6133775 0.86 SLC1A5 (0.39) ADA
SCHEMBL6170939 0.85 ADA (0.45) ADA
SCHEMBL6172343 0.85 ADA (0.47) ADA
Hydrochloric Acid SCHEMBL6133251 0.84 ADA (0.37) ADA
SCHEMBL6170903 0.84 MEN1 (0.45) ADA
Hydrochloric Acid SCHEMBL6133340 0.83 ADA (0.41) ADAPHF8
SCHEMBL6133437 0.82 PTGER1 (0.42) ADA
Hydrochloric Acid SCHEMBL6133445 0.82 HRH1 (0.40) ADA

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-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US claimed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 US claimed
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 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-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ADA, AMPD2, AMPD1 ADA 1/4885PHF8 1447/4885SCN9A 2287/4885

“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.