SCHEMBL207277

SCHEMBL207277

CCOC(=O)C12CCCN(CC1)C2

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
OPRM1 P35372 4/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3317821 0.97 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL592258 0.93 OPRM1 (0.40) CHRM2CHRM4CHRM1CHRM3OPRM1
Bromide SCHEMBL6628170 0.91 OPRM1 (0.39) CHRM2CHRM4CHRM1CHRM3OPRM1
SCHEMBL13398561 0.90 OPRM1 (0.38) CHRM2CHRM4CHRM1CHRM3OPRM1
SCHEMBL3220818 0.82 OPRM1 (0.41) KDM4EOPRM1OPRD1OPRK1SLC22A1
SCHEMBL667330 0.81 TSHR (0.40) CHRM2CHRM4CHRM1CHRM3POLB
SCHEMBL9050441 0.81 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL29435164 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Bromide SCHEMBL30309841 0.80 OPRM1 (0.41) POLBKDM4EOPRM1OPRD1OPRK1
SCHEMBL668021 0.79 HCAR2 (0.40) CHRM2CHRM4CHRM1CHRM3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287356-B1 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1996-01-24 EP claimed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 EP claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US disclosed
WO-2009029375-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 US disclosed
EP-0392803-B1 Novel compounds BEECHAM GROUP PLC (GB) 2004-06-16 EP disclosed
EP-0366304-B1 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1998-04-15 EP disclosed
US-RE35593-E THERAPY FOR DERMENTIA BEECHAM GROUP P.L.C. 1997-08-19 US disclosed
US-4988706-A Treatment of dementia in mammals, central nervous system disorders, cognition activators BEECHAM GROUP P.L.C. (GB) 1991-01-29 US disclosed
EP-0402056-A2 Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them Beecham Group p.l.c. (GB) 1990-12-12 EP disclosed
US-4971975-A TREATMENT OF DEMENTIA; AZABICYCLOOCTANE COMPOUNDS BEECHAM GROUP PLC (GB) 1990-11-20 US disclosed
EP-0392803-A1 Novel compounds Beecham Group p.l.c. (GB) 1990-10-17 EP disclosed
EP-0366304-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1990-05-02 EP disclosed
EP-0363085-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-04-11 EP disclosed
EP-0339834-A2 Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1989-11-02 EP disclosed
EP-0338723-A1 Novel compounds BEECHAM GROUP PLC (GB) 1989-10-25 EP disclosed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 CHRM2 4479/4885CHRM4 4734/4885CHRM1 4421/4885
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 CHRM2 4390/4885CHRM4 4831/4885CHRM1 4381/4885

“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.