SCHEMBL6042383

SCHEMBL6042383

O=C(O)N1CCC(c2ccc(CCOC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)C(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.39
SLC6A11 P48066 4/20 0.35
HTT P42858 1/20 0.33
EPHX2 P34913 3/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC18A3 Q16572 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GRIN2B Q13224 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
RORC P51449 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TEAD1 P28347 1/20 0.30
TEAD3 Q99594 1/20 0.30

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
SCHEMBL6041923 0.85 SLC6A1 (0.43) SLC6A1SLC6A11HTTEPHX2SLC18A3
SCHEMBL6041383 0.83 TEAD3 (0.36) TP53CYP3A4GRIN2BTEAD3
SCHEMBL7079956 0.82 SLC6A1 (0.35) SLC6A1SLC6A11HTTRORC
SCHEMBL6042056 0.81 MEN1 (0.34) HTTSLC18A3MEN1KMT2A
SCHEMBL6041867 0.81 KDM4E (0.38) ALDH1A1MEN1KMT2A
SCHEMBL6042051 0.81 REN (0.42)
SCHEMBL6043867 0.81 TEAD3 (0.38) TP53TEAD3
SCHEMBL6043281 0.79 SLC6A1 (0.39) SLC6A1SLC6A11HTTALDH1A1SLC18A3
SCHEMBL7590276 0.78 SLC6A1 (0.39) SLC6A1SLC6A11ALDH1A1GRIN2B
SCHEMBL6041658 0.74 CHRNB2 (0.45) TP53GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 SLC6A1 4211/4885SLC6A11 4391/4885HTT 155/4885

“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.