SCHEMBL2551954

SCHEMBL2551954

CC(C)C[C@H](C(=O)N1CCN(c2noc(-c3ccccc3)n2)CC1)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.40
CCR1 P32246 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL2246879 1.00 HRH3 (0.40) HRH3CCR1GAA
SCHEMBL2246972 0.92 HRH3 (0.38) HRH3
SCHEMBL2551755 0.92 HRH3 (0.38) HRH3
SCHEMBL2245928 0.87 NPC1 (0.47) HRH3
SCHEMBL2546594 0.87 NPC1 (0.47) HRH3
SCHEMBL2552704 0.82 LMNA (0.42) GAA
SCHEMBL2249244 0.82 LMNA (0.42) GAA
SCHEMBL2253954 0.81 NPC1 (0.50)
SCHEMBL2248062 0.79 KDM4E (0.55) GAA
SCHEMBL2252896 0.79 KDM4E (0.55) GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD HRH3 18/4885CCR1 1292/4885GAA 2031/4885

“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.