SCHEMBL20332003

SCHEMBL20332003

CCC(O)(CC)COc1cccc(C[C@H](N)CN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
GGPS1 O95749 1/20 0.36
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKT1 P31749 4/20 0.34
SCN4A P35499 1/20 0.33
MAOB P27338 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
DCLK1 O15075 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL20332001 0.92 TAAR1 (0.40) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL15150987 0.87 TAAR1 (0.39) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL15150976 0.87 TAAR1 (0.39) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL15151060 0.87 TAAR1 (0.39) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL20332597 0.87 TAAR1 (0.42) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL20318755 0.81 TAAR1 (0.41) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL4568995 0.81 VDR (0.38) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL20318756 0.81 TAAR1 (0.41) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL4568988 0.81 VDR (0.38) TAAR1GGPS1MAPK1L3MBTL1TSHR
SCHEMBL4569004 0.81 VDR (0.38) TAAR1GGPS1MAPK1L3MBTL1TSHR

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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885GGPS1 1244/4885MAPK1 2505/4885

“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.