SCHEMBL5112656

SCHEMBL5112656

Fc1cccc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.54
AR P10275 1/20 0.51
CYP11B2 P19099 1/20 0.47
STK10 O94804 1/20 0.47
SLK Q9H2G2 1/20 0.47
TRPA1 O75762 3/20 0.46
BACE1 P56817 1/20 0.46
PDK2 Q15119 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NT5E P21589 1/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL24017164 0.84 AR (0.50) SCN9AARTRPA1BACE1TRPM8
SCHEMBL24017176 0.84 AR (0.50) SCN9AARTRPA1BACE1TRPM8
SCHEMBL9261126 0.83 TRPA1 (0.45) SCN9ATRPA1PDK2NT5EACHE
SCHEMBL30146607 0.82 SCN9A (0.59) SCN9AARTRPA1BACE1TRPM8
SCHEMBL9890660 0.80 PDK2 (0.43) SCN9APDK2NT5EALDH1A1LMNA
SCHEMBL5540255 0.79 SCN9A (0.53) SCN9AARTRPA1BACE1TRPM8
SCHEMBL28759695 0.79 SCN9A (0.53) SCN9AARTRPA1BACE1TRPM8
SCHEMBL5540262 0.79 SCN9A (0.53) SCN9AARTRPA1BACE1PDK2
SCHEMBL3398486 0.79 SCN9A (0.53) SCN9AARTRPA1BACE1TRPM8
SCHEMBL1027860 0.79 SCN9A (0.53) SCN9AARSTK10SLKTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378447-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 SCN9A 829/4885AR 1131/4885CYP11B2 755/4885
US-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 SCN9A 829/4885AR 1131/4885CYP11B2 755/4885

“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.