SCHEMBL4213089

SCHEMBL4213089

COc1ccc(C(C(N)=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
MMP1 P03956 3/20 0.54
MMP3 P08254 3/20 0.54
MMP7 P09237 3/20 0.54
MMP9 P14780 3/20 0.54
MMP8 P22894 3/20 0.54
MMP13 P45452 3/20 0.54
MMP2 P08253 2/20 0.54
STS P08842 2/20 0.54
GPR119 Q8TDV5 2/20 0.53
BACE1 P56817 2/20 0.52
CTSD P07339 1/20 0.52
CTSE P14091 1/20 0.52
HTT P42858 2/20 0.50
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TGFBR1 P36897 1/20 0.46

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
SCHEMBL22499906 0.88 ALDH1A1 (0.63) ALDH1A1STSGPR119HTTMAPT
SCHEMBL17892067 0.87 ALDH1A1 (0.50) ALDH1A1MMP13GPR119HTTMAPT
SCHEMBL25326881 0.87 MMP13 (0.53) ALDH1A1MMP13GPR119HTTMAPT
SCHEMBL17892126 0.87 ALDH1A1 (0.50) ALDH1A1MMP13GPR119HTTMAPT
SCHEMBL4248552 0.85 ALDH1A1 (0.61) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL5049579 0.78 SLC6A3 (0.53) ALDH1A1MMP1MMP3MMP7MMP13
SCHEMBL12533230 0.77 GPR119 (0.67) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL7871974 0.77 ALDH1A1 (0.67) ALDH1A1STSGPR119BACE1CTSD
Water SCHEMBL28845747 0.77 SLC6A3 (0.52) ALDH1A1NPC1MAPK1RAB9AEPHX2
SCHEMBL22499826 0.77 NPC1 (0.55) ALDH1A1GPR119BACE1HTTMAPT

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-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 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-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT ALDH1A1 1235/4885MMP1 1733/4885MMP3 3401/4885

“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.