SCHEMBL4311256

SCHEMBL4311256

c1cc(OCCOc2nccnc2N2CCNCC2)c2ccncc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.48
PRKCA P17252 5/20 0.46
PRKCD Q05655 5/20 0.46
PRKCB P05771 4/20 0.46
PRKCH P24723 4/20 0.46
PRKCE Q02156 4/20 0.46
PRKCQ Q04759 4/20 0.46
PRKD1 Q15139 4/20 0.46
HTR2C P28335 1/20 0.43
PRKD3 O94806 2/20 0.43
PRKCG P05129 2/20 0.43
CYP3A4 P08684 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
PRKACA P17612 2/20 0.43
PRKACG P22612 2/20 0.43
PRKACB P22694 2/20 0.43
PRKCI P41743 2/20 0.43
PRKCZ Q05513 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43

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 0.89 HTR2C (0.56) HTR2CKDM4ECYP1A2MEN1HTR1A
SCHEMBL4314864 0.84 HTR2C (0.40) PRKCAPRKCDPRKCBPRKCHPRKCE
SCHEMBL4312087 0.81 HTR2C (0.52) HTR2CCYP3A4KDM4ECYP1A2CYP2C19
SCHEMBL4308712 0.80 ADRB2 (0.45) HTR2CCYP3A4HTR1ASLC6A4ACVR1
SCHEMBL4317211 0.79 HTR2C (0.41) HTR2CHTR1ASLC6A4HTR6
SCHEMBL4312038 0.78 HTR2C (0.43) HTR2C
SCHEMBL4319483 0.77 HTR1A (0.53) HTR2CHTR1ASLC6A4HTR6
SCHEMBL4318698 0.77 HTR2C (0.39) HTR2CHTR1ASLC6A4HTR6
SCHEMBL4317632 0.77 ADRB2 (0.46) HTR2CROCK2ROCK1
SCHEMBL4312809 0.77 CYP2C19 (0.49) HTR2CCYP3A4CYP1A2CYP2C19HTR1A

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 KCNA3 1321/4885PRKCA 4000/4885PRKCD 3447/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A KCNA3 1363/4885PRKCA 4038/4885PRKCD 3421/4885

“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.