SCHEMBL341808

SCHEMBL341808

Cc1ccc(CN(C(=O)NCc2ccccc2)C2CCN(Cc3ccccc3Br)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.50
CCR5 P51681 2/20 0.49
OPRM1 P35372 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
UBE2M P61081 3/20 0.47
DCUN1D1 Q96GG9 3/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MCHR1 Q99705 1/20 0.46
CXCR4 P61073 1/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
THRB P10828 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
SCHEMBL5540777 1.00 SLC2A1 (0.50) SLC2A1CCR5OPRM1SIGMAR1CHRM2
SCHEMBL7091708 0.89 OPRM1 (0.61) SLC2A1CCR5OPRM1CHRM2CHRM3
SCHEMBL4211121 0.89 OPRM1 (0.61) SLC2A1CCR5OPRM1CHRM2CHRM3
Hydrochloric Acid SCHEMBL4207721 0.88 OPRM1 (0.60) SLC2A1CCR5OPRM1CHRM2CHRM3
Oxalic Acid SCHEMBL4208908 0.87 OPRM1 (0.59) SLC2A1CCR5OPRM1CHRM2CHRM3
SCHEMBL340490 0.85 UBE2M (0.61) SLC2A1OPRM1CHRM2CHRM3ACHE
SCHEMBL3707074 0.83 ACHE (0.55) SLC2A1CCR5OPRM1CHRM2CHRM3
SCHEMBL340505 0.83 ACHE (0.55) SLC2A1CCR5OPRM1CHRM2CHRM3
SCHEMBL340169 0.83 HTR2A (0.59) CCR5OPRM1CHRM2UBE2MDCUN1D1
SCHEMBL5329449 0.83 HTR2A (0.59) CCR5OPRM1CHRM2UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP claimed
EP-1263729-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2006-12-20 EP claimed
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction ACADIA PHARMACEUTICALS, INC. 2006-08-31 US claimed
US-6815458-B2 NERVOUS SYSTEM DISORDERS ACADIA PHARMACEUTICALS, INC 2004-11-09 US claimed
US-20030220316-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2003-11-27 US claimed
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US claimed
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
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP disclosed
US-20160237036-A1 AZACYCLIC COMPOUNDS ACADIA PHARM INC (US) 2016-08-18 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
US-20020004513-A1 Azacyclic compounds ACADIA PHARMACEUTICALS INC. 2002-01-10 US 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 (6 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-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT SLC2A1 1598/4885CCR5 935/4885OPRM1 210/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT SLC2A1 1598/4885CCR5 935/4885OPRM1 210/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT SLC2A1 1598/4885CCR5 935/4885OPRM1 210/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B SLC2A1 949/4885CCR5 1962/4885OPRM1 73/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT SLC2A1 1598/4885CCR5 935/4885OPRM1 210/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B SLC2A1 1672/4885CCR5 2762/4885OPRM1 193/4885

“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.