SCHEMBL7244994

SCHEMBL7244994

CC(C)(C)OC(=O)N(c1ccncc1)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
SLC7A5 Q01650 1/20 0.39
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKACA P17612 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
PRKX P51817 1/20 0.39
ROCK1 Q13464 1/20 0.39
PRKG1 Q13976 1/20 0.39

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
SCHEMBL7251795 1.00 F2 (0.40) F2SLC7A5CYP3A4ALDH1A1ATM
SCHEMBL18301525 0.91 SLC7A5 (0.43) SLC7A5ATMPRSS1CTSGCTRB1
SCHEMBL27625790 0.89 MMP8 (0.43) F2CYP3A4ALDH1A1ROCK2ITGA4
SCHEMBL27343486 0.86 ALDH1A1 (0.44) CYP3A4ALDH1A1PRSS1CTSGCTRB1
SCHEMBL27343484 0.86 ALDH1A1 (0.44) CYP3A4ALDH1A1PRSS1CTSGCTRB1
SCHEMBL27563969 0.85 CTSS (0.40) SLC7A5ALDH1A1ATMPRSS1CTSG
SCHEMBL27341127 0.84 ALDH1A1 (0.47) CYP3A4ALDH1A1ROCK2RPS6KA5RPS6KA4
SCHEMBL27341125 0.84 ALDH1A1 (0.47) CYP3A4ALDH1A1ROCK2RPS6KA5RPS6KA4
SCHEMBL7066901 0.83 SLC7A5 (0.43) SLC7A5CYP3A4ALDH1A1ATMPRSS1
SCHEMBL23038616 0.82 SLC7A5 (0.37) SLC7A5ATMPRSS1CTSGCTRB1

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-6559140-B2 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBOTT LABORATORIES 2003-05-06 US disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 F2 549/4885SLC7A5 1537/4885CYP3A4 956/4885

“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.