SCHEMBL3040992

SCHEMBL3040992

Fc1ccc(Oc2ccc(C3CCNCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.62
SLC6A4 P31645 9/20 0.62
SLC6A3 Q01959 9/20 0.62
HTR1A P08908 7/20 0.62
HTR2C P28335 2/20 0.51
SLC18A3 Q16572 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
PARP10 Q53GL7 1/20 0.47
KCNH2 Q12809 1/20 0.46
LTA4H P09960 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL240518 0.89 HTR2C (0.62) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL377800 0.87 HTR2C (0.63) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL949252 0.84 SLC18A3 (0.68) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL8484170 0.83 HTR1A (0.54) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL26154104 0.83 PARP10 (0.50) SLC6A2SLC6A4SLC6A3HTR1APARP10
Hydrochloric Acid SCHEMBL31615878 0.82 SLC18A3 (0.66) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL25255641 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL1237703 0.81 HTR2C (0.55) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL8285669 0.81 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3HTR1AKCNH2
Hydrochloric Acid SCHEMBL31615877 0.80 HTR2C (0.81) SLC6A2SLC6A4SLC6A3HTR1AHTR2C

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
EP-4028403-B1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2023-11-22 EP disclosed
US-11814375-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2023-11-14 US disclosed
EP-4028403-A1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-07-20 EP disclosed
CN-114269755-A 4,4A,5,7,8, 8A-hexapyrido [4,3-B ] [1,4] oxazin-3-one compounds as MAGL inhibitors 豪夫迈·罗氏有限公司 2022-04-01 CN disclosed
US-20210094943-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2021048242-A1 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 WO disclosed
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-05-12 US disclosed
EP-0958280-B1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6838470-B2 Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-04 US disclosed
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-12-25 US disclosed
US-6525199-B1 Ring coupling, reduction and deprotecting; synthesis of compounds for alleviation and treatment of symptoms due to ischemic diseases SUNTORY LIMITED (JP) 2003-02-25 US disclosed
US-6407099-B1 SUPPRESSING CYTOTOXIC CALCIUM OVERLOAD AND LIPID PEROXIDATION; ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIEDEMIC AGENTS; BRAIN, NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2002-06-18 US disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP 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 (4 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-11814375-B2 Heterocyclic compounds CYP1B1, CYP1A1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SLC6A2 4473/4885SLC6A4 4414/4885SLC6A3 4560/4885
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 SLC6A2 1753/4885SLC6A4 1640/4885SLC6A3 1588/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 SLC6A2 1360/4885SLC6A4 1538/4885SLC6A3 1160/4885
US-20210094943-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 SLC6A2 4533/4885SLC6A4 4487/4885SLC6A3 4637/4885

“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.