SCHEMBL5483074

SCHEMBL5483074

CCCC(O)C(F)[C](F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 3/20 0.30
SPHK1 Q9NYA1 1/20 0.30
FFAR1 O14842 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
SCHEMBL28829537 0.79 CHRM1 (0.50) LMNACHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL27921027 0.77 CHRM1 (0.48) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL15428302 0.77
SCHEMBL13476921 0.75 LMNA (0.55) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL104878 0.75 LMNA (0.55) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL24875248 0.74
SCHEMBL578491 0.71
SCHEMBL867984 0.69
SCHEMBL477895 0.69
SCHEMBL25262141 0.69 LMNA (0.50) LMNACHRM1AKR1A1CHRM3HTR2A

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-20070072859-A1 Pharmaceutical compounds ELI LILLY AND COMPANY (US) 2007-03-29 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-20070072859-A1 Pharmaceutical compounds ADRB3, HTR3C, SLC6A2 LMNA 1861/4885CHRM1 20/4885AKR1A1 990/4885

“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.