SCHEMBL1750586

SCHEMBL1750586

CN(C(=O)O)C1CCN(c2ccc(N)cc2C#N)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
JAK2 O60674 4/20 0.40
JAK3 P52333 3/20 0.40
JAK1 P23458 2/20 0.40
ACACB O00763 2/20 0.39
BCL6 P41182 1/20 0.38
USP30 Q70CQ3 5/20 0.38
BTK Q06187 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL1748798 0.85 GAA (0.48) GAAMAPTHSD17B10KDM4ELMNA
SCHEMBL1749402 0.84 GAA (0.47) GAAMAPTHSD17B10KDM4ELMNA
SCHEMBL1749278 0.84 GAA (0.40) GAAMAPTHSD17B10KDM4EJAK2
SCHEMBL1749232 0.83 GAA (0.41) GAAMAPTHSD17B10KDM4EJAK2
SCHEMBL1749216 0.83 ALDH1A1 (0.45) GAAMAPTLMNAACACBUSP30
SCHEMBL1749219 0.83 ALDH1A1 (0.45) GAAMAPTLMNAACACBUSP30
SCHEMBL1750144 0.81 EML4 (0.43) GAAMAPTHSD17B10KDM4EJAK3
SCHEMBL2171157 0.81 ALDH1A1 (0.41) GAAACACBMAP4K4
SCHEMBL6792109 0.81 AR (0.41) JAK2JAK3JAK1USP30MAP4K4
SCHEMBL6052098 0.80 MAPT (0.53) GAAMAPTHSD17B10KDM4ELMNA

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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 GAA 1379/4885MAPT 4824/4885HSD17B10 1208/4885

“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.