SCHEMBL4309134

SCHEMBL4309134

Clc1nc2ccccc2nc1OCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
NPC1 O15118 1/20 0.53
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 2/20 0.47
KCNA3 P22001 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GBA1 P04062 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL4320991 0.80 HTT (0.48) RAB9ATSHRL3MBTL1NPC1HSD17B10
SCHEMBL5359429 0.78 TDP1 (0.54) RAB9ATSHRL3MBTL1TDP1ALDH1A1
SCHEMBL12410057 0.77 TDP1 (0.52) L3MBTL1NPC1HSD17B10TDP1ALDH1A1
SCHEMBL4318658 0.75 KCNA3 (0.48) RAB9ATSHRL3MBTL1NPC1KCNA3
SCHEMBL2178510 0.74 TDP1 (0.58) RAB9ATSHRL3MBTL1NPC1TDP1
SCHEMBL27962 0.72 KCNA3 (0.82) KCNA3ALDH1A1PKMTAAR1RECQL
SCHEMBL8491495 0.71 PIN1 (0.48) RAB9ATSHRL3MBTL1NPC1HSD17B10
SCHEMBL10643248 0.69 KCNA3 (0.50) RAB9ATSHRL3MBTL1NPC1KCNA3
SCHEMBL1373700 0.69 DRD2 (0.69) RAB9AL3MBTL1NPC1KCNA3ALDH1A1
SCHEMBL18795122 0.68 TDP1 (0.50) L3MBTL1HSD17B10TDP1ALDH1A1SMN1; SMN2

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 1012/4885TSHR 457/4885L3MBTL1 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 977/4885TSHR 531/4885L3MBTL1 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.