SCHEMBL6874305

SCHEMBL6874305

C=C1CC(c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PIM1 P11309 1/20 0.42
FLT3 P36888 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 3/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTRB1 P17538 1/20 0.40
GRIN2B Q13224 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7243724 0.81 ESR2 (0.48) MAPTGAASLC18A3SIGMAR1MAPK1
SCHEMBL21954834 0.77 MAPT (0.57) MAPTGAAMAP1LC3BMEN1KMT2A
SCHEMBL4742061 0.76 GAA (0.56) MAPTGAASLC18A3SIGMAR1PIM1
SCHEMBL31490454 0.76 GAA (0.56) MAPTGAASLC18A3SIGMAR1PIM1
SCHEMBL7363078 0.75 ESR2 (0.63) SLC18A3SIGMAR1GRIN2B
SCHEMBL13382520 0.75 BRD4 (0.44) MAPTMAP1LC3BBRD4SMN1; SMN2
SCHEMBL23933243 0.74 GAA (0.54) MAPTGAASLC18A3SIGMAR1PIM1
Ammonia Solution, Strong SCHEMBL8090454 0.74 GAA (0.54) MAPTGAASLC18A3SIGMAR1PIM1
SCHEMBL449180 0.74 MAPT (0.82) MAPTGAASLC18A3SIGMAR1MAP1LC3B
SCHEMBL41763 0.71

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
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 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-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B MAPT 1856/4885GAA 3423/4885SLC18A3 446/4885

“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.