SCHEMBL6042877

SCHEMBL6042877

OCCCOCc1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 2/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
LTA4H P09960 3/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8689058 0.89 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1TAAR1LMNA
SCHEMBL8905224 0.81 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1TAAR1PARP15
SCHEMBL3356356 0.81 DRD2 (0.43) SLC1A3SLC1A2SLC1A1TAAR1PARP15
SCHEMBL2340489 0.80 DRD2 (0.42) SLC1A3SLC1A2SLC1A1TAAR1PARP15
SCHEMBL8906379 0.80 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1TAAR1PARP15
SCHEMBL20912422 0.80 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL15412571 0.79 DRD2 (0.41) SLC1A3SLC1A2SLC1A1TAAR1LMNA
SCHEMBL9840613 0.79 DRD2 (0.41) SLC1A3SLC1A2SLC1A1TAAR1LMNA
SCHEMBL8945514 0.79 TAAR1 (0.36) SLC1A3SLC1A2SLC1A1TAAR1PARP15
SCHEMBL15412821 0.79 DRD2 (0.41) SLC1A3SLC1A2SLC1A1TAAR1LMNA

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 5 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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP 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 SLC1A3 864/4885SLC1A2 563/4885SLC1A1 553/4885

“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.