SCHEMBL4312668

SCHEMBL4312668

O=C(O)N1CCN(c2nsnc2OCCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
LIPA P38571 8/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
CHRM1 P11229 1/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL5572377 0.77 ALDH1A1 (0.56) NPSR1HTTLIPAALDH1A1MAPT
SCHEMBL2641137 0.75 SLC29A1 (0.38) NPSR1ALDH1A1KMT2APOLBLMNA
SCHEMBL4311973 0.74 MRGPRX4 (0.43) NPSR1HTTALDH1A1MAPTKMT2A
SCHEMBL4308719 0.74 KDM4E (0.55) ALDH1A1KMT2AKDM4EGAA
SCHEMBL5573619 0.73 ALDH1A1 (0.48) NPSR1HTTLIPAALDH1A1MAPT
SCHEMBL5572898 0.73 ALDH1A1 (0.48) NPSR1HTTLIPAALDH1A1MAPT
SCHEMBL5573635 0.72 ALDH1A1 (0.50) NPSR1HTTALDH1A1MAPTKMT2A
SCHEMBL18282564 0.72 LIPA (0.37) NPSR1HTTLIPAALDH1A1MAPT
SCHEMBL18282590 0.71 LIPA (0.39) NPSR1HTTLIPAALDH1A1MAPT
SCHEMBL4314831 0.71 HTR1A (0.41) NPSR1HTTLIPAALDH1A1MAPT

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 NPSR1 33/4885HTT 1037/4885LIPA 1231/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A NPSR1 33/4885HTT 1035/4885LIPA 1279/4885

“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.