SCHEMBL4316436

SCHEMBL4316436

CN(CCOc1ccccc1)c1nccnc1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.44
▸ SLC6A2 P23975 3/20 0.42
▸ SLC6A3 Q01959 3/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR6 P50406 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40

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
SCHEMBL4308039 0.77 TSHR (0.48) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL9688903 0.76 HTR2C (0.42) HTR2C
SCHEMBL4324612 0.76 HTR2C (0.48) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4326876 0.76 HTR2C (0.48) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL2640069 0.74 CHRNB2 (0.43) HTR2CKDM4EALDH1A1LMNA
SCHEMBL4317786 0.74 MAPT (0.49) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4315346 0.73 CHRNB2 (0.46) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4316445 0.73 HTR6 (0.49) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4316415 0.73 SLC6A2 (0.44) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4314472 0.72 GBA1 (0.59) GBA1ALDH1A1LMNA

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 7 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
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 GBA1 713/4885SLC6A2 120/4885SLC6A3 65/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A GBA1 797/4885SLC6A2 113/4885SLC6A3 64/4885

“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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