SCHEMBL4320992

SCHEMBL4320992

COc1ccc(COc2nccnc2N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.50
HTR3A P46098 3/20 0.49
ADRB1 P08588 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
TLR7 Q9NYK1 2/20 0.47
NCF1 P14598 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
PRMT5 O14744 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
SCHEMBL2385259 0.85 HRH4 (0.48) HRH4NCF1HTR1A
SCHEMBL31651782 0.79 HTR2C (0.45) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL26599291 0.79 HTR2C (0.45) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL4309052 0.78 ADRB1 (0.50) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL6014772 0.77 HTR6 (0.58) HRH4HTR1AHTR6
SCHEMBL4316350 0.77 HTR2C (0.39)
SCHEMBL3322210 0.77 HTR3A (0.55) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL4315672 0.77 ADRB1 (0.52) HTR3AADRB1NCF1HTR1AHTR7
SCHEMBL13116676 0.76 HRH4 (0.44) HRH4
SCHEMBL7476206 0.76 ADRB1 (0.51) HTR3AADRB1NCF1HTR1AHTR7

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 HRH4 219/4885HTR3A 7/4885ADRB1 81/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HRH4 213/4885HTR3A 7/4885ADRB1 89/4885

“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.