SCHEMBL23745495

SCHEMBL23745495

CCCCCCC(C)(C)CC1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 0.34
ADRA2C P18825 1/20 0.34
CCR2 P41597 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23745736 0.85 EPHX1 (0.38) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL23745351 0.82 SLC6A2 (0.41) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL8657970 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL17649948 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL16652362 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL16652905 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL4423889 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL4426423 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL8661751 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A
SCHEMBL5712866 0.78 EPHX1 (0.60) EPHX1ADRB2HTR1ASLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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 (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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 EPHX1 520/4885ADRB2 4261/4885HTR1A 4714/4885

“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.