SCHEMBL6133612

SCHEMBL6133612

NC(=O)c1cn(C[C@@H](O)CCCc2ccccc2OCc2ccc(Oc3ccc(F)cc3)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MAOB P27338 1/20 0.37
PARP10 Q53GL7 1/20 0.37
SCN9A Q15858 5/20 0.36
ADA P00813 6/20 0.36
TRPV6 Q9H1D0 1/20 0.35
CPB1 P15086 1/20 0.34

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
SCHEMBL6133407 0.95 PTGER1 (0.41) SLC1A5PTGER1PTGER4PTGER3PTGER2
SCHEMBL6170939 0.89 ADA (0.45) PTGER1PTGER4PTGER3PTGER2ADA
Hydrochloric Acid SCHEMBL6133512 0.89 ABCB1 (0.44) PTGER1PTGER4PTGER3PTGER2ADA
Hydrochloric Acid SCHEMBL6133493 0.88 PTGER1 (0.38) SLC1A5PTGER1PTGER4PTGER3PTGER2
SCHEMBL6133437 0.88 PTGER1 (0.42) SLC1A5PTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL6134427 0.87 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2MAOB
Hydrochloric Acid SCHEMBL6134584 0.87 SLC1A5 (0.42) SLC1A5PTGER1PTGER4PTGER3PTGER2
SCHEMBL6134115 0.86 PTGER1 (0.39) SLC1A5PTGER1PTGER4PTGER3PTGER2
SCHEMBL6133659 0.86 ACLY (0.41) SLC1A5PTGER1PTGER4PTGER3PTGER2
SCHEMBL6133343 0.86 ADA (0.42) PTGER1PTGER4PTGER3PTGER2MAOB

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 SLC1A5 269/4885PTGER1 1527/4885PTGER4 3762/4885

“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.