SCHEMBL4213070

SCHEMBL4213070

CC(C)(C)OC(=O)N1CCC(NCCCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.57
STS P08842 1/20 0.55
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
GPR119 Q8TDV5 2/20 0.53
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
SLC2A1 P11166 1/20 0.49
CCR8 P51685 1/20 0.49
USP30 Q70CQ3 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM3 P20309 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EPHX1 P07099 1/20 0.49
GRIN1 Q05586 1/20 0.49

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
SCHEMBL29042870 0.93 USP30 (0.55) DRD4STSGPR119JAK2JAK1
SCHEMBL29042881 0.93 USP30 (0.55) DRD4STSGPR119JAK2JAK1
SCHEMBL2106890 0.93 STS (0.57) DRD4STSKDM4EPKMGPR119
SCHEMBL28779688 0.87 USP30 (0.58) DRD4STSGPR119JAK2JAK1
SCHEMBL29042862 0.86 USP30 (0.57) DRD4STSKDM4EPKMGPR119
SCHEMBL29042864 0.86 USP30 (0.57) DRD4STSKDM4EPKMGPR119
SCHEMBL29042868 0.86 USP30 (0.57) DRD4STSKDM4EPKMGPR119
SCHEMBL28779701 0.86 USP30 (0.55) DRD4STSGPR119JAK2JAK1
SCHEMBL616004 0.85 STS (0.60) DRD4STSKDM4EPKMGPR119
SCHEMBL3025644 0.84 ALDH1A1 (0.51) DRD4STSKDM4EPKMGPR119

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
US-9765053-B2 Methods of treatment using selective 5-HT2A inverse agonists ACADIA PHARMACEUTICALS INC. (US) 2017-09-19 US disclosed
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2017-06-15 US disclosed
US-20160237036-A1 AZACYCLIC COMPOUNDS ACADIA PHARM INC (US) 2016-08-18 US disclosed
US-9296694-B2 Azacyclic compounds ACADIA PHARMACEUTICALS INC. (US) 2016-03-29 US disclosed
US-20150259291-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS INC. 2015-09-17 US disclosed
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2011-12-08 US disclosed
US-20090186921-A1 AZACYCLIC COMPOUNDS ACADIA PHARMACEUTICALS, INC. (US) 2009-07-23 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP disclosed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20060194834-A1 Azacyclic compounds ACADIA PHARMACEUTICALS, INC. 2006-08-31 US disclosed
US-20050014757-A1 Azacyclic compounds ANDERSSON CARL-MAGNUS A (DK) 2005-01-20 US disclosed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 US disclosed
US-6756393-B2 AMIDES AND UREAS N-SUBSTITUTED WITH PIPERIDINE OR NORTROPANE; SEROTONIN INVERSE AGONISTS OR ANTAGONISTS; ANTIPSYCHOTIC ACADIA PHARMACEUTICALS, INC. 2004-06-29 US disclosed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US disclosed
CN-1443167-A Azacyclo compounds for the treatment of 5-hydroxytryptamine related disorders ACADIA PHARM INC (US) 2003-09-17 CN disclosed
EP-1263729-A1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Acadia Pharmaceuticals Inc. (US) 2002-12-11 EP disclosed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US disclosed
WO-2001066521-A1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARMACEUTICALS, INC. (US) 2001-09-13 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 (11 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-20150259291-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT DRD4 423/4885STS 1077/4885KDM4E 2186/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B DRD4 396/4885STS 1327/4885KDM4E 4226/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT DRD4 294/4885STS 1122/4885KDM4E 2716/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT DRD4 294/4885STS 1122/4885KDM4E 2716/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT DRD4 423/4885STS 1077/4885KDM4E 2186/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT DRD4 423/4885STS 1077/4885KDM4E 2186/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A DRD4 135/4885STS 3882/4885KDM4E 729/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT DRD4 423/4885STS 1077/4885KDM4E 2186/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B DRD4 396/4885STS 1327/4885KDM4E 4226/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT DRD4 423/4885STS 1077/4885KDM4E 2186/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B DRD4 72/4885STS 554/4885KDM4E 4120/4885

“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.