SCHEMBL6217467

SCHEMBL6217467

Fc1ccc(N2CC3CCC2CN3Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47

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
SCHEMBL6620817 0.87 SIGMAR1 (0.48) SIGMAR1
SCHEMBL11775261 0.81 SIGMAR1 (0.63) SIGMAR1
SCHEMBL5493423 0.75 DRD3 (0.55) SIGMAR1
SCHEMBL5240929 0.75 SIGMAR1 (0.47) SIGMAR1
SCHEMBL9868061 0.74 SIGMAR1 (0.73) SIGMAR1
SCHEMBL5498350 0.74 DRD4 (0.46) SIGMAR1
SCHEMBL5493145 0.74 HDAC1 (0.46) SIGMAR1
SCHEMBL16752776 0.74 DRD2 (0.53) SIGMAR1
SCHEMBL6213626 0.74 DRD2 (0.53) SIGMAR1
Hydrochloric Acid SCHEMBL9865080 0.73 SIGMAR1 (0.71) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178047-B1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER PROD INC (US) 2004-02-25 EP claimed
US-6531468-B2 Inhibiting serotonin reuptake in the central nervous system of a mammal PFIZER INC 2003-03-11 US claimed
US-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER INC. 2002-06-06 US claimed
EP-1178047-A1 Diazabicyclooctane derivatives and therapeutic uses thereof Pfizer Products Inc. (US) 2002-02-06 EP claimed
EP-1178048-B1 Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists PFIZER PROD INC (US) 2005-06-15 EP disclosed
EP-1178047-B1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER PROD INC (US) 2004-02-25 EP disclosed
US-6552015-B2 Inhibition of serotonin reuptake; especially 2-(azabicycloalkyl)alkylenyl)isoquinolin-3-one compounds PFIZER INC. 2003-04-22 US disclosed
US-6531468-B2 Inhibiting serotonin reuptake in the central nervous system of a mammal PFIZER INC 2003-03-11 US disclosed
US-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER INC. 2002-06-06 US disclosed
US-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof PFIZER PRODUCTS INC. 2002-05-02 US disclosed
EP-1178047-A1 Diazabicyclooctane derivatives and therapeutic uses thereof Pfizer Products Inc. (US) 2002-02-06 EP disclosed
EP-1178048-A1 Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists Pfizer Products Inc. (US) 2002-02-06 EP 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 (2 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-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof CNR1, CBR1, CLIC1 SIGMAR1 174/4885
US-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof HTR5A, HTR1A, HTR2A SIGMAR1 108/4885

“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.