SCHEMBL1844378

SCHEMBL1844378

O=C(O)C1CCCc2c(OCc3ccccc3)cccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.52
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
RXRB P28702 5/20 0.49
RXRA P19793 4/20 0.49
RXRG P48443 3/20 0.49
KMT2A Q03164 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
NR1H3 Q13133 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PTGIR P43119 2/20 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
SCHEMBL4760329 1.00 LIPG (0.52) LIPGMAOAMAOBRXRBRXRA
Hydrochloric Acid SCHEMBL4758894 0.99 LIPG (0.52) LIPGMAOAMAOBRXRBRXRA
SCHEMBL1844734 0.92 MAOA (0.55) LIPGMAOAMAOBRXRBRXRA
SCHEMBL4758888 0.90 LIPG (0.51) LIPGMAOAMAOBRXRBRXRA
SCHEMBL4760821 0.89 LIPG (0.47) LIPGMAOAMAOBRXRBRXRA
SCHEMBL8858726 0.84 PTGIR (0.56) NR1H3ALDH1A1PTGIR
SCHEMBL8807888 0.84 FFAR1 (0.47) KMT2ANR1H3MEN1PTGIR
SCHEMBL3029194 0.84 AGTR2 (0.50) MAOAMAOBRXRBRXRARXRG
SCHEMBL9491099 0.81 LIPG (0.52) LIPGMAOAMAOBRXRBRXRA
SCHEMBL31318435 0.80 MAOA (0.53) LIPGMAOAMAOBRXRBRXRA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
CN-1474803-B Amide derivatives and their use for the preparation of medicaments MITSUBISHI TANABE PHARMA CORP 2012-11-21 CN disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
CN-102050758-A Novel amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US disclosed
EP-1852431-A1 OPTICALLY ACTIVE TETRAHYDRONAPHTHALENE DERIVATIVE MITSUBISHI PHARMA CORPORATION (JP) 2007-11-07 EP disclosed
JP-2005120027-A 5-BENZYLOXY-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUBISHI PHARMA CORP 2005-05-12 JP disclosed
WO-2005023188-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-17 WO disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
CN-1474803-A Novel amide derivative and medical use thereof ������ҩ��ʽ���� 2004-02-11 CN disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP disclosed
US-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 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 (3 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-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative C3AR1, C5AR1, C5AR2 LIPG 3144/4885MAOA 1800/4885MAOB 1320/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 LIPG 591/4885MAOA 412/4885MAOB 369/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S LIPG 579/4885MAOA 584/4885MAOB 544/4885

“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.