SCHEMBL5859016

SCHEMBL5859016

NCCOc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LTA4H P09960 2/20 0.40
PLA2G2A P14555 1/20 0.40
HRH1 P35367 2/20 0.38
HTR1B P28222 1/20 0.38
KIF11 P52732 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
AKT1 P31749 2/20 0.33
ROCK2 O75116 2/20 0.33
PRKACA P17612 2/20 0.33
PRKCD Q05655 2/20 0.33

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
SCHEMBL10750620 0.79 MEN1 (0.32) MEN1APAF1KMT2A
SCHEMBL18202620 0.75 TAAR1 (0.48) TAAR1KDM4ELTA4HPLA2G2AMEN1
SCHEMBL10620297 0.75 TAAR1 (0.40) TAAR1KDM4ELTA4HPLA2G2AHTR1B
SCHEMBL17794538 0.75 TAAR1 (0.40) TAAR1KDM4ELTA4HPLA2G2AHTR1B
SCHEMBL4280446 0.74 NPC1 (0.46) KDM4ELTA4HMEN1KMT2AMAPK1
SCHEMBL5422564 0.74 ALDH1A1 (0.46) MEN1APAF1KMT2AMAPK1
SCHEMBL6708469 0.74 MEN1 (0.32) MEN1APAF1KMT2A
SCHEMBL18265853 0.74 HDAC8 (0.35) MEN1APAF1KMT2A
SCHEMBL15547011 0.74 HDAC8 (0.35) KDM4EMEN1APAF1KMT2ASMN1; SMN2
SCHEMBL20163348 0.73 TAAR1 (0.37) TAAR1KDM4ELTA4HPLA2G2AHTR1B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563073-B For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds 诺罗利西斯公司 2021-12-07 CN disclosed
EP-3475268-B9 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2021-04-21 EP disclosed
EP-3475268-B1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2020-08-19 EP disclosed
CN-110914264-A Heterocyclic compound and harmful arthropod control agent containing same 住友化学株式会社 2020-03-24 CN disclosed
US-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors NEUROLIXIS (FR) 2020-02-18 US disclosed
CN-110719907-A Heterocyclic compounds and compositions containing the same 住友化学株式会社 2020-01-21 CN disclosed
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2019-06-27 US disclosed
EP-3475268-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2019-05-01 EP disclosed
WO-2017220799-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS NEUROLIXIS (FR) 2017-12-28 WO disclosed
EP-3260452-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS Neurolixis (FR) 2017-12-27 EP disclosed
US-7015225-B1 Anti-cancer agents and methods CHEN LARRY 2006-03-21 US 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-10562853-B2 Compounds for treating disorders sensitive to serotoninergic regulation controlled by the 5-HT1A receptors HTR5A, HTR1A, HTR1E TAAR1 110/4885KDM4E 2557/4885LTA4H 1141/4885
US-20190194132-A1 COMPOUNDS FOR TREATING DISORDERS SENSITIVE TO SEROTONINERGIC REGULATION CONTROLLED BY THE 5-HT1A RECEPTORS HTR5A, HTR1A, HTR1E TAAR1 110/4885KDM4E 2557/4885LTA4H 1141/4885

“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.