SCHEMBL4308087

SCHEMBL4308087

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.45
HTR2A P28223 9/20 0.45
HTR2B P41595 7/20 0.42
KCNH2 Q12809 1/20 0.39
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL2639565 1.00 HTR2C (0.45) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL2639295 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL4313537 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL7472925 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL2640227 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL237951 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL2639684 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL4316338 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL905805 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL4320049 0.86 HTR2C (0.43) HTR2CHTR2AHTR2BKCNH2HTR1A

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 HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 9/4885

“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.