SCHEMBL6134056

SCHEMBL6134056

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCc2ccc(-c3ccccn3)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PHF8 Q9UPP1 1/20 0.36
ADA P00813 5/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
CARM1 Q86X55 1/20 0.33
PRMT1 Q99873 1/20 0.33
DPP4 P27487 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MMP12 P39900 1/20 0.32
PPARG P37231 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 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
SCHEMBL6133437 0.91 PTGER1 (0.42) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6170939 0.89 ADA (0.45) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6133565 0.87 MEN1 (0.39) PTGER1PTGER4PTGER3PTGER2PHF8
Hydrochloric Acid SCHEMBL6134584 0.86 SLC1A5 (0.42) PTGER1PTGER4PTGER3PTGER2ADA
Hydrochloric Acid SCHEMBL6134427 0.86 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6133407 0.85 PTGER1 (0.41) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6134115 0.85 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6134148 0.85 ADA (0.36) PTGER1PTGER4PTGER3PTGER2ADA
Hydrochloric Acid SCHEMBL6133512 0.85 ABCB1 (0.44) PTGER1PTGER4PTGER3PTGER2ADA
SCHEMBL6134173 0.85 PTGER1 (0.38) PTGER1PTGER4PTGER3PTGER2ADA

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 3 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

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 PTGER1 1527/4885PTGER4 3762/4885PTGER3 2857/4885

“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.