SCHEMBL4309152

SCHEMBL4309152

OCCOc1cccc2c1OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
HTR1A P08908 4/20 0.47
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
SLC6A4 P31645 2/20 0.37
IDO1 P14902 1/20 0.37
CHEK1 O14757 1/20 0.36
CHEK2 O96017 1/20 0.36
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
RECQL P46063 1/20 0.36
MGAM O43451 1/20 0.36
AMY1A P0DUB6 1/20 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
Alcohol SCHEMBL5238742 0.84 MTNR1A (0.63) MTNR1AHTR1AHTTSLC6A4
SCHEMBL9239494 0.83 MTNR1A (0.47) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL5871763 0.82 MTNR1A (0.46) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL9236154 0.82 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL13534270 0.82 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL25335293 0.82 HTR1B (0.46) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL9238978 0.81 MTNR1A (0.47) MTNR1AHTR1AKMT2ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL25334638 0.81 HTR1B (0.45) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL10339701 0.81 MTNR1A (0.50) MTNR1AHTR1AKMT2ATDP1L3MBTL1
SCHEMBL13533396 0.80 MTNR1A (0.48) MTNR1AHTR1AKMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947799-A A kind of preparation method of chlorobenzene oxycarboxylic acid 山东润博生物科技有限公司 2018-12-07 CN disclosed
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO 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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A MTNR1A 156/4885HTR1A 5/4885KMT2A 1494/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A MTNR1A 159/4885HTR1A 5/4885KMT2A 1513/4885

“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.