SCHEMBL6213626

SCHEMBL6213626

Fc1ccc(N2CC3CCC(C2)N3Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD4 P21917 4/20 0.53
DRD3 P35462 3/20 0.53
SLC6A2 P23975 1/20 0.53
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL16752776 1.00 DRD2 (0.53) DRD2DRD4DRD3SLC6A2CHRM2
SCHEMBL19838609 0.89 CHRM2 (0.51) DRD2DRD4DRD3SLC6A2CHRM2
SCHEMBL19839767 0.89 CHRM2 (0.51) DRD2DRD4DRD3SLC6A2CHRM2
SCHEMBL6618877 0.86 DRD4 (0.54) DRD4DRD3SLC6A2CHRM2CHRM4
SCHEMBL12386018 0.83 CHRM2 (0.49) DRD4CHRM2CHRM4CHRM5L3MBTL1
SCHEMBL16422747 0.77 GAA (0.51) DRD2DRD4DRD3GAAL3MBTL1
SCHEMBL20483452 0.76 CHRM2 (0.64) DRD2DRD4DRD3SLC6A2CHRM2
SCHEMBL6193982 0.75 SIGMAR1 (0.52) CHRM4OPRM1OPRD1OPRK1HTR2C
SCHEMBL11773404 0.74 CHRM2 (0.53) DRD2DRD4DRD3SLC6A2CHRM2
SCHEMBL6217467 0.74 SIGMAR1 (0.47) 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 21 patents — showing the first 20. 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-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
EP-2870140-B1 TETRAHYDROQUINAZOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LTD (IN) 2016-07-27 EP disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-9359367-B2 Tetrahydroquinazolinone derivatives as PARP inhibitors LUPIN LIMITED (IN) 2016-06-07 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors LUPIN LIMITED (IN) 2015-06-04 US disclosed
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-1178048-A1 Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists Pfizer Products Inc. (US) 2002-02-06 EP disclosed
EP-1178047-A1 Diazabicyclooctane derivatives and therapeutic uses thereof 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 (3 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 DRD2 1075/4885DRD4 1043/4885DRD3 894/4885
US-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof HTR5A, HTR1A, HTR2A DRD2 230/4885DRD4 385/4885DRD3 348/4885
US-20150152118-A1 Tetrahydroquinazolinone Derivatives as PARP Inhibitors PARP1, PARP11, PARP3 DRD2 524/4885DRD4 744/4885DRD3 584/4885

“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.