SCHEMBL4220447

SCHEMBL4220447

CN1CCC(NCc2ccco2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.67
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR6 P50406 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL18640394 0.85 USP2 (0.60) USP2MAPTKMT2AL3MBTL1HTT
SCHEMBL6647891 0.85 USP2 (0.83) USP2MAPTKMT2APOLBALKBH5
SCHEMBL23456094 0.82 USP2 (0.96) USP2MAPTKMT2APOLBALKBH5
SCHEMBL13990231 0.80 USP2 (1.00) USP2MAPTKMT2APOLBALKBH5
SCHEMBL29803137 0.80 USP2 (0.73) USP2MAPTKMT2AALDH1A1ALOX15
SCHEMBL4983013 0.79 KDM5B (0.54) POLBTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL29802844 0.79 ACHE (0.69) USP2KMT2APOLBMAPK1
SCHEMBL29802720 0.79 USP2 (0.58) USP2MAPTKMT2APOLBTDP1
SCHEMBL15456392 0.76 USP2 (0.78) USP2MAPTKMT2APOLBALKBH5
SCHEMBL2794020 0.76 MAPT (0.53) USP2MAPTL3MBTL1ALDH1A1MAPK1

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 22 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
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-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
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 USP2 3176/4885MAPT 2692/4885KMT2A 958/4885
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B USP2 2884/4885MAPT 3060/4885KMT2A 1969/4885
US-20060194834-A1 Azacyclic compounds HTR6, HTR5A, HNMT USP2 3949/4885MAPT 3047/4885KMT2A 1270/4885
US-20090186921-A1 AZACYCLIC COMPOUNDS HTR6, HTR5A, HNMT USP2 3949/4885MAPT 3047/4885KMT2A 1270/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT USP2 3176/4885MAPT 2692/4885KMT2A 958/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT USP2 3176/4885MAPT 2692/4885KMT2A 958/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A USP2 3678/4885MAPT 3583/4885KMT2A 710/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT USP2 3176/4885MAPT 2692/4885KMT2A 958/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B USP2 2884/4885MAPT 3060/4885KMT2A 1969/4885
US-20160237036-A1 AZACYCLIC COMPOUNDS HTR6, TPMT, HNMT USP2 3176/4885MAPT 2692/4885KMT2A 958/4885
US-20060194778-A1 Serotonin receptor antagonist; psychological disorders; side effect reduction HTR2A, HTR1A, HTR1B USP2 3794/4885MAPT 2162/4885KMT2A 1361/4885

“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.