SCHEMBL4318635

SCHEMBL4318635

c1ccc2c(CCOc3nccnc3N3CCNCC3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
ACHE P22303 1/20 0.49
HTR6 P50406 3/20 0.45
HTR2A P28223 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
NCF1 P14598 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR7 P34969 1/20 0.45
MTOR P42345 1/20 0.45
HTR3A P46098 1/20 0.45
HTR5A P47898 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45

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
SCHEMBL4322649 0.86 HTR2C (0.56) HTR2CACHEHTR6HTR2AHTR3E
SCHEMBL6046291 0.85 HTR2C (0.67) HTR2CACHEHTR6HTR2AHTR3E
SCHEMBL27506269 0.83 LMNA (0.45) HTR2CHTR6HTR2ACYP1A2CYP2D6
SCHEMBL4313429 0.78 HTR2C (0.44) HTR2CHTR6HTR1ANCF1HTR1D
SCHEMBL4314576 0.78 HTR6 (0.48) HTR2CACHEHTR6HTR1AHTR3A
SCHEMBL4308039 0.77 TSHR (0.48) HTR2CHTR6HTR1ATSHRHSD17B10
SCHEMBL4313514 0.77 HTR2C (0.48) HTR2CHTR3EHTR3BHTR3AHTR5A
SCHEMBL4317318 0.77 HTR6 (0.45) HTR6HTR3EHTR3BCYP1A2HTR1A
SCHEMBL4319828 0.77 HRH4 (0.51) HTR2CHTR6HTR1AHTR3ASIGMAR1
SCHEMBL4326876 0.76 HTR2C (0.48) HTR2CHTR6HTR1ATSHRHSD17B10

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 8 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
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 HTR2C 1/4885ACHE 1329/4885HTR6 9/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HTR2C 1/4885ACHE 1361/4885HTR6 10/4885

“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.