SCHEMBL4313583

SCHEMBL4313583

COc1ccc(C)cc1OCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
TUBB1 Q9H4B7 2/20 0.56
L3MBTL1 Q9Y468 12/20 0.56
MAPT P10636 10/20 0.56
HPGD P15428 6/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
ALOX12 P18054 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL4 Q8NA19 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51

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
SCHEMBL8234577 0.93 L3MBTL1 (0.65) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL13433956 0.91 ACHE (0.59) ACHETUBB1L3MBTL1MAPTHPGD
SCHEMBL9596753 0.90 L3MBTL1 (0.51) ACHETUBB1L3MBTL1MAPTHPGD
SCHEMBL13650180 0.86 L3MBTL1 (0.53) TUBB1L3MBTL1MAPTHPGDCYP2C9
SCHEMBL12697215 0.84 L3MBTL4 (0.64) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL11963234 0.83 ACHE (0.63) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL12781858 0.83 ACHE (0.63) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL8287371 0.81 MAPT (0.59) L3MBTL1MAPTHPGDCYP2C9CYP2C19
SCHEMBL10695477 0.81 ACHE (0.61) ACHEL3MBTL1MAPTHPGDCYP2C9
SCHEMBL4313349 0.81 CA12 (0.61) TUBB1MAPTHPGDCYP2C9CYP2C19

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
WO-2024057020-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2024-03-21 WO 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 ACHE 1329/4885TUBB1 3322/4885L3MBTL1 2883/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A ACHE 1361/4885TUBB1 3320/4885L3MBTL1 3082/4885

“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.