SCHEMBL4329099

SCHEMBL4329099

CNCCN(C)c1nccnc1OCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 2/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ GBA1 P04062 6/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4314472 0.71 GBA1 (0.59) GBA1CHRNB2CHRNA4LTA4H
SCHEMBL595753 0.69 HTR1B (1.00) HTR1BHTR1DCHRNB2CHRNA4L3MBTL1
Iodide SCHEMBL30481083 0.68 HTR1B (0.96) HTR1BHTR1DCHRNB2CHRNA4L3MBTL1
SCHEMBL1109801 0.68 HTR1B (1.00) HTR1BHTR1DCHRNB2CHRNA4L3MBTL1
Hydrochloric Acid SCHEMBL10921722 0.68 HTR1B (0.96) HTR1BHTR1DCHRNB2CHRNA4L3MBTL1
SCHEMBL23067924 0.67 HTR1B (0.78) HTR1BHTR1DCHRNB2CHRNA4L3MBTL1
SCHEMBL4316558 0.67 LTA4H (0.47) CHRNB2CHRNA4LTA4H
SCHEMBL6849557 0.66 HTR1B (0.88) HTR1BHTR1DL3MBTL1LTA4H
SCHEMBL4318658 0.66 KCNA3 (0.48) HTR1BHTR1DL3MBTL1LTA4H
SCHEMBL6850933 0.65 HTR1B (0.85) HTR1BHTR1DL3MBTL1LTA4HSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 HTR1B 8/4885HTR1D 11/4885GBA1 713/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HTR1B 8/4885HTR1D 12/4885GBA1 797/4885

“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.

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