SCHEMBL6134589

SCHEMBL6134589

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2O)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADA P00813 10/20 0.43
TAAR1 Q96RJ0 1/20 0.33
LPAR1 Q92633 1/20 0.33
MGLL Q99685 1/20 0.33
MPO P05164 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL6170502 0.88 ADA (0.48) ADASLC6A4
SCHEMBL6174709 0.88 ADA (0.44) ADALPAR1
SCHEMBL6168401 0.86 ADA (0.59) ADA
SCHEMBL6133844 0.85 ADA (0.38) ADA
SCHEMBL6172025 0.85 LPAR1 (0.42) ADALPAR1
SCHEMBL1385827 0.85 ADA (0.42) ADALPAR1
SCHEMBL6133830 0.85 ADA (0.42) ADALPAR1
SCHEMBL6171094 0.85 ADA (0.40) ADA
SCHEMBL6170042 0.85 ADA (0.54) ADALPAR1
SCHEMBL6134341 0.84 ADA (0.41) ADALPAR1

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 5 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 disclosed
EP-1098885-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 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 1/4885TAAR1 1773/4885LPAR1 3938/4885

“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.