SCHEMBL4139902

SCHEMBL4139902

CC(C)(C)OC(=O)N1CCC(NCc2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.56
TP53 P04637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR119 Q8TDV5 2/20 0.49
TEAD1 P28347 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
HTR2A P28223 1/20 0.49
MMP13 P45452 1/20 0.48
EPHX1 P07099 1/20 0.48
PTPN2 P17706 1/20 0.47

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
SCHEMBL17605157 0.93 DNMT3A (0.52) DNMT3ATP53ALDH1A1MAPTNPC1
SCHEMBL17605155 0.93 DNMT3A (0.52) DNMT3ATP53ALDH1A1MAPTNPC1
SCHEMBL2793493 0.89 GPR119 (0.57) TP53ALDH1A1MAPTNPC1MAPK1
SCHEMBL5013239 0.88 ALDH1A1 (0.51) DNMT3AALDH1A1MAPTNPC1MAPK1
SCHEMBL652849 0.88 HTT (0.57) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL616004 0.88 STS (0.60) TP53ALDH1A1MAPTNPC1MAPK1
SCHEMBL7381166 0.87 ALDH1A1 (0.69) TP53ALDH1A1MAPTHTTMEN1
SCHEMBL17605154 0.86 USP30 (0.50) DNMT3ATP53ALDH1A1MAPTMEN1
SCHEMBL17605512 0.86 USP30 (0.50) DNMT3ATP53ALDH1A1MAPTMEN1
SCHEMBL17605153 0.86 USP30 (0.50) DNMT3ATP53ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390301-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS GILGAMESH PHARMACEUTICALS, INC. (US) 2024-11-28 US disclosed
CN-118946556-A DGK targeting compounds and uses thereof 阿维纳斯运营公司 2024-11-12 CN disclosed
WO-2023028086-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-03-02 WO disclosed
WO-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE 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
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 WO 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
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 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 (8 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 DNMT3A 1706/4885TP53 1778/4885ALDH1A1 601/4885
US-20240390301-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS HTR2A, HTR2C, HTR5A DNMT3A 3998/4885TP53 4685/4885ALDH1A1 2568/4885
US-20030220316-A1 Azacyclic compounds HTR6, TPMT, HNMT DNMT3A 564/4885TP53 3447/4885ALDH1A1 1093/4885
US-20020004513-A1 Azacyclic compounds HTR6, TPMT, HNMT DNMT3A 564/4885TP53 3447/4885ALDH1A1 1093/4885
US-20050014757-A1 Azacyclic compounds HTR6, TPMT, HNMT DNMT3A 564/4885TP53 3447/4885ALDH1A1 1093/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B DNMT3A 4229/4885TP53 4809/4885ALDH1A1 2458/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A DNMT3A 1575/4885TP53 1724/4885ALDH1A1 482/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 DNMT3A 1706/4885TP53 1778/4885ALDH1A1 601/4885

“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.