SCHEMBL6216397

SCHEMBL6216397

Clc1ccc(N2C3CCC2CN(Cc2ccccc2)C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.62
DRD4 P21917 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
ALDH1A1 P00352 1/20 0.50
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
BACE1 P56817 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
FUCA1 P04066 2/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL19014047 0.79 KMT2A (0.51) OPRM1ALDH1A1KMT2A
SCHEMBL23032767 0.79 OPRM1 (0.49) OPRM1DRD4SIGMAR1ALDH1A1BCHE
SCHEMBL22578859 0.79 OPRM1 (0.49) OPRM1DRD4SIGMAR1ALDH1A1BCHE
SCHEMBL7245601 0.78 DRD2 (0.49) OPRM1DRD4KMT2AOPRD1OPRK1
SCHEMBL2178280 0.77 OPRM1 (0.60) OPRM1SIGMAR1OPRD1OPRK1
SCHEMBL6618877 0.75 DRD4 (0.54) OPRM1DRD4SIGMAR1ALDH1A1BCHE
SCHEMBL1022483 0.75 OPRM1 (0.54) OPRM1DRD4SIGMAR1ACHEFUCA1
SCHEMBL21071714 0.74 OPRM1 (0.82) OPRM1DRD4ACHEOPRD1OPRK1
SCHEMBL21142567 0.74 OPRM1 (0.82) OPRM1DRD4ACHEOPRD1OPRK1
SCHEMBL6619688 0.73 OPRM1 (0.51) OPRM1KMT2A

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 11 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-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 OPRM1 143/4885DRD4 1043/4885SIGMAR1 174/4885
US-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof HTR5A, HTR1A, HTR2A OPRM1 71/4885DRD4 385/4885SIGMAR1 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.