SCHEMBL4320563

SCHEMBL4320563

Clc1nccnc1OCCOc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NOS1 P29475 1/20 0.46
HMOX2 P30519 1/20 0.46
MAOB P27338 3/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
GRM4 Q14833 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL19977428 0.83 EGFR (0.50) RAB9AHTTL3MBTL1NOS1HMOX2
SCHEMBL4318658 0.80 KCNA3 (0.48) RAB9AL3MBTL1ALDH1A1NPC1MAPT
SCHEMBL13883739 0.80 MAOB (0.64) RAB9AHTTL3MBTL1NOS1HMOX2
SCHEMBL4320271 0.77 TDP1 (0.57) RAB9AHTTALDH1A1KDM4ELMNA
SCHEMBL10801659 0.75 MAOB (0.67) RAB9AHTTL3MBTL1MAOBALDH1A1
SCHEMBL16263296 0.75 MAOB (0.61) RAB9AHTTL3MBTL1NOS1HMOX2
SCHEMBL7162438 0.74 MAOB (0.62) RAB9AHTTL3MBTL1NOS1HMOX2
SCHEMBL4315389 0.74 SMN1; SMN2 (0.47) RAB9AMAOBALDH1A1MEN1NPC1
SCHEMBL1785290 0.73 MAOB (0.56) RAB9AHTTL3MBTL1NOS1HMOX2
SCHEMBL307767 0.73 MAOB (0.56) RAB9AHTTL3MBTL1NOS1HMOX2

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 RAB9A 1012/4885HTT 1037/4885L3MBTL1 2883/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A RAB9A 977/4885HTT 1035/4885L3MBTL1 3082/4885

“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.