SCHEMBL3078802

SCHEMBL3078802

BrCCCOc1ccc2c(c1)OCO2

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.69
MAOA P21397 7/20 0.63
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 2/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 1/20 0.47
FKBP1A P62942 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
SCHEMBL11798994 0.95 MAOB (0.67) MAOBMAOANPC1RAB9ATSHR
SCHEMBL11798944 0.93 MAOB (0.65) MAOBMAOANPC1RAB9ATSHR
SCHEMBL11799016 0.93 MAOB (0.65) MAOBMAOANPC1RAB9ATSHR
SCHEMBL11798933 0.93 MAOB (0.65) MAOBMAOANPC1RAB9ATSHR
SCHEMBL5725730 0.91 MAOB (0.71) MAOBMAOANPC1RAB9ATSHR
SCHEMBL108114 0.89 MAOB (0.74) MAOBMAOANPC1RAB9ATSHR
SCHEMBL11802724 0.87 MAOB (0.72) MAOBMAOANPC1RAB9ATSHR
SCHEMBL107322 0.87 MAOB (0.83) MAOBMAOANPC1RAB9ATSHR
SCHEMBL7236239 0.84 MAOB (0.71) MAOBMAOANPC1RAB9ATSHR
SCHEMBL984460 0.84 MAOB (0.68) MAOBMAOANPC1RAB9ATSHR

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
JP-11189593-A None JP disclosed
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
JP-H11189593-A 2-(PIPERIDYLALKYLCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVE OR ITS SALT YAMANOUCHI PHARMACEUT CO LTD 1999-07-13 JP disclosed
US-4684739-A HYPOTENSIVE AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-08-04 US disclosed
EP-0054304-B1 ALKYLENEDIOXYBENZENE DERIVATIVES, ACID ADDITION SALTS THEREOF AND A METHOD FOR THEIR PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1984-08-15 EP disclosed
EP-0054304-A1 Alkylenedioxybenzene derivatives, acid addition salts thereof and a method for their preparation MITSUBISHI KASEI CORPORATION (JP) 1982-06-23 EP disclosed
US-3933837-A 3,4-Methylenedioxyphenoxy-alkyl diketones and keto-esters STERLING DRUG INC. (US) 1976-01-20 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 (2 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MAOB 43/4885MAOA 85/4885NPC1 794/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MAOB 43/4885MAOA 85/4885NPC1 794/4885

“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.