SCHEMBL477251

SCHEMBL477251

O=C(O)N1CCC(NCCCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.40
KDM4E B2RXH2 4/20 0.38
CHRM2 P08172 4/20 0.37
CHRM5 P08912 4/20 0.37
CHRM3 P20309 3/20 0.37
SMYD3 Q9H7B4 1/20 0.35
CXCR4 P61073 1/20 0.34
DRD2 P14416 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD3 P35462 3/20 0.34
EPHX2 P34913 1/20 0.33
USP2 O75604 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
SCHEMBL6435144 0.95 DRD4 (0.40) DRD4KDM4ECHRM2CHRM5CHRM3
SCHEMBL2225265 0.89 KDM4E (0.40) DRD4KDM4ECHRM2CHRM5CHRM3
SCHEMBL28813230 0.89 EPHX1 (0.41) DRD4KDM4ECXCR4ALDH1A1SMN1; SMN2
SCHEMBL13207141 0.84 EPHX2 (0.47) EPHX2
SCHEMBL6414021 0.83 EPHX2 (0.50) KDM4ECHRM2CHRM5CHRM3EPHX2
SCHEMBL6419621 0.80 MCHR1 (0.43) DRD4KDM4ECHRM2CHRM5CHRM3
SCHEMBL477266 0.80 CA1 (0.36) CXCR4ALDH1A1SMN1; SMN2
SCHEMBL4065999 0.80 KDM4E (0.39) DRD4KDM4ECHRM2CHRM5CHRM3
SCHEMBL16795205 0.79 CYP1A2 (0.45) SMYD3SMN1; SMN2
SCHEMBL8149867 0.78 OPRL1 (0.44) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-20190337925-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2019-11-07 US disclosed
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-08-20 US disclosed
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 US disclosed
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-02-05 US disclosed
EP-3406609-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2018-11-28 EP disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 EP disclosed
US-9926297-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
EP-3102568-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2016-12-14 EP disclosed
WO-2015118342-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LIMITED (GB) 2015-08-13 WO disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 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 (9 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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 DRD4 554/4885KDM4E 1019/4885CHRM2 2/4885
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 DRD4 627/4885KDM4E 1045/4885CHRM2 2/4885
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 DRD4 565/4885KDM4E 809/4885CHRM2 2/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 DRD4 554/4885KDM4E 1019/4885CHRM2 2/4885
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 DRD4 554/4885KDM4E 1019/4885CHRM2 2/4885
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists CHRM1, CHRM2, CHRM5 DRD4 565/4885KDM4E 809/4885CHRM2 2/4885
US-20190337925-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 DRD4 554/4885KDM4E 1019/4885CHRM2 2/4885
US-20170240530-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 DRD4 627/4885KDM4E 1045/4885CHRM2 2/4885
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 DRD4 627/4885KDM4E 1045/4885CHRM2 2/4885

“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.