SCHEMBL3107925

SCHEMBL3107925

COC(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.39
MAPK9 P45984 3/20 0.39
MAPK10 P53779 3/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
BRD4 O60885 2/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36
NR4A2 P43354 3/20 0.36
CREBBP Q92793 1/20 0.36
GBA1 P04062 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL3111523 0.87 CYP2C9 (0.41) HTR2CSLC6A4GBA1NPC1
SCHEMBL27604368 0.81 BRD4 (0.44) LMNAALDH1A1BRD4SMN1; SMN2KDM4E
SCHEMBL1403500 0.80 LMNA (0.40) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL8017533 0.79 HTR2C (0.47) HTR2CSLC6A4L3MBTL1GBA1
SCHEMBL6645846 0.79 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL27623621 0.78 BRD4 (0.40) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL6018224 0.77 KCNA5 (0.46) MAPK8MAPK9MAPK10ALDH1A1BRD4
SCHEMBL1424499 0.75 HTR2C (0.38) MAPK8MAPK9MAPK10LMNAALDH1A1
SCHEMBL27663330 0.75 GBA1 (0.42) HTR2CSLC6A4GBA1
SCHEMBL31407207 0.75 ALDH1A1 (0.43) MAPK8MAPK9MAPK10LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 MAPK8 3691/4885MAPK9 3579/4885MAPK10 3199/4885

“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.