SCHEMBL21114155

SCHEMBL21114155

Cn1nc(-c2ccc(OCCCCCCNCC3CC3)cc2F)c2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.42
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 2/20 0.34
ESR1 P03372 1/20 0.33
PDE2A O00408 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
AOC3 Q16853 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CMKLR1 Q99788 1/20 0.32
RORC P51449 1/20 0.32
HTR3A P46098 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL21114064 0.88 LSS (0.45) LSSHRH3ESR1PDE2AKDM4E
SCHEMBL21114071 0.88 LSS (0.43) LSSHRH3ESR1PDE2AKDM4E
SCHEMBL21114187 0.86 LSS (0.47) LSSESR1PDE2ASCN9AKDM4E
SCHEMBL8483115 0.85 LSS (0.58) LSSHRH3KDM4EHTR3A
SCHEMBL21114106 0.84 BCHE (0.46) LSSKDM4ECNR2
SCHEMBL21113936 0.84 LSS (0.48) LSSESR1PDE2ARORC
SCHEMBL21113992 0.83 LSS (0.48) LSSHRH3ESR1PDE2AAOC3
SCHEMBL21113916 0.82 LSS (0.44) LSSHRH3ESR1PDE2ASCN9A
SCHEMBL21114027 0.81 LSS (0.42) LSSESR1PDE2ASCN9AKDM4E
SCHEMBL21114031 0.81 LSS (0.47) LSSESR1PDE2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 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 (1 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 LSS 438/4885HRH4 1091/4885HRH3 2584/4885

“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.