SCHEMBL4320271

SCHEMBL4320271

Clc1nccnc1OCCOc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 1/20 0.57
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49
AGXT P21549 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
HRH1 P35367 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
GALR3 O60755 1/20 0.42
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.42
PTPN7 P35236 1/20 0.41
DRD3 P35462 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
SCHEMBL4318658 0.82 KCNA3 (0.48) NPC1RAB9AMAPTSMN1; SMN2DRD3
SCHEMBL16902851 0.79 TDP1 (0.87) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL4315389 0.78 SMN1; SMN2 (0.47) NPC1RAB9AMAPTSMN1; SMN2HRH3
SCHEMBL4320563 0.77 RAB9A (0.51) KDM4EMAPK1NPC1RAB9AMAPT
SCHEMBL2177291 0.74 KDM4E (0.77) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8674825 0.74 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL15657734 0.74 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8673201 0.74 TDP1 (1.00) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL29429997 0.73 TDP1 (0.76) TDP1KDM4EMAPK1NPC1RAB9A
SCHEMBL8565990 0.73 TDP1 (0.76) TDP1KDM4EMAPK1NPC1RAB9A

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 TDP1 4308/4885KDM4E 2431/4885MAPK1 4034/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A TDP1 4285/4885KDM4E 2230/4885MAPK1 4042/4885

“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.