SCHEMBL2337879

SCHEMBL2337879

Cc1ccccc1COCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.47
MAOB P27338 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP2A13 Q16696 1/20 0.37
GBA1 P04062 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL3079544 0.89 CHRM3 (0.45) CHRM3MAOBTAAR1ADRA2AADRA2B
Ethylene Glycol SCHEMBL7751137 0.88 MAOB (0.46) CHRM3MAOBTAAR1ADRA2AADRA2B
SCHEMBL4846056 0.87 CHRM3 (0.44) CHRM3MAOBTAAR1ADRA2AADRA2B
SCHEMBL4669318 0.85 FFAR1 (0.45) CHRM3MAOBALDH1A1RECQLGBA1
SCHEMBL23343755 0.83 MAOB (0.46) CHRM3MAOBTAAR1ADRA2AADRA2B
SCHEMBL4315585 0.83 TAAR1 (0.50) CHRM3MAOBTAAR1ADRA2AADRA2B
SCHEMBL10593611 0.82 TAAR1 (0.42) CHRM3MAOBTAAR1ADRA2AADRA2B
O-Xylene SCHEMBL27533464 0.81 TSHR (0.50) ALDH1A1RECQLHTR1AKDM4ETHRB
SCHEMBL2491945 0.80 FFAR1 (0.36) CHRM3ALDH1A1GBA1KDM4E
SCHEMBL6928728 0.80 TAAR1 (0.55) CHRM3MAOBTAAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776359-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor SPEEDEL EXPERIMENTA AG (CH) 2008-03-27 US disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
CN-101014594-A Piperidine derivatives as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2007-08-08 CN disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
EP-1776359-A2 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-04-25 EP disclosed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
EP-0068260-B1 SUBSTITUTED PHENOXYPROPIONATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-03-05 EP disclosed
EP-0086392-B1 HERBICIDAL AGENT CONTAINING METAMITRON IN COMBINATION WITH CERTAIN PHENOXYPROPIONIC-ACID ESTERS BAYER AG (DE) 1985-08-21 EP disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 US disclosed
EP-0086392-A1 Herbicidal agent containing metamitron in combination with certain phenoxypropionic-acid esters BAYER AG (DE) 1983-08-24 EP disclosed
EP-0084819-A2 Herbicidal agents containing methabenzthiazuron in combination with certain phenoxypropionic acid esters BAYER AG (DE) 1983-08-03 EP disclosed
EP-0068260-A2 Substituted phenoxypropionates, process for their preparation and their use as herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-01-05 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 (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-20080076766-A1 Piperidine Derivatives As Renin Inhibitor REN, AGTR1, ACE CHRM3 367/4885MAOB 526/4885TAAR1 654/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ CHRM3 1960/4885MAOB 2859/4885TAAR1 4652/4885

“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.