SCHEMBL6882706

SCHEMBL6882706

OCC[C@]1(O)CCc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
ADRA2A P08913 1/20 0.37
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL6882704 1.00 SIGMAR1 (0.37) SIGMAR1ADRA2ALMNAL3MBTL1TSHR
SCHEMBL6873942 0.86 LMNA (0.36) ADRA2ALMNA
SCHEMBL6876197 0.84 SIGMAR1 (0.36) SIGMAR1ADRA2ALMNATSHRATM
SCHEMBL14658768 0.79 ATM (0.39) SIGMAR1ADRA2ATSHRATM
SCHEMBL14803525 0.79 SIGMAR1 (0.38) SIGMAR1ADRA2ATSHRATMHTR1A
SCHEMBL19130456 0.79 ATM (0.39) SIGMAR1ADRA2ATSHRATM
SCHEMBL14660180 0.76 SIGMAR1 (0.36) SIGMAR1ADRA2ATSHRATM
SCHEMBL7187296 0.75 HDAC9 (0.35) LMNATSHR
SCHEMBL6263927 0.75 MAPT (0.35) LMNATSHR
SCHEMBL11428386 0.74 SIGMAR1 (0.35) SIGMAR1ADRA2ATSHRATM

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 SIGMAR1 150/4885ADRA2A 116/4885LMNA 2483/4885

“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.