SCHEMBL4322306

SCHEMBL4322306

c1ccc(-c2cccc(OCCOc3nccnc3N3CCNCC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
BACE1 P56817 1/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
USP2 O75604 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
HTR6 P50406 1/20 0.41
HTR2C P28335 2/20 0.41
PRKCI P41743 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
SLC6A2 P23975 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 0.89 TSHR (0.48) LTA4HHTR1AHSD17B10TSHRHTR6
SCHEMBL4313451 0.87 KDM4E (0.39) HTR1ACYP1A2CYP3A4USP2CYP2C19
SCHEMBL4315394 0.86 PRMT5 (0.48) HTR1ATSHRHTR6SLC6A2SLC6A3
SCHEMBL4317285 0.85 ADORA2A (0.40) HSD17B10TSHRHRH3HTR2CSLC6A2
SCHEMBL4324612 0.85 HTR2C (0.48) LTA4HHTR1AHSD17B10TSHRHTR6
SCHEMBL4326876 0.85 HTR2C (0.48) LTA4HHTR1AHSD17B10TSHRHTR6
SCHEMBL4315672 0.85 ADRB1 (0.52) HTR1AHTR7CYP1A2CYP3A4USP2
SCHEMBL2640084 0.85 CHRNB2 (0.49) CYP1A2CYP3A4USP2CYP2C19HSD17B10
SCHEMBL6202944 0.85 HTR2C (0.39) HTR1ACYP1A2CYP3A4USP2CYP2C19
SCHEMBL4311413 0.85 TSHR (0.40) LTA4HCYP3A4TP53TSHRHTR2C

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 LTA4H 1451/4885BACE1 1228/4885HTR1A 5/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A LTA4H 1404/4885BACE1 1236/4885HTR1A 5/4885

“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.