SCHEMBL498218

SCHEMBL498218

Cc1nc(OCc2c(C(C)C)nnn2-c2ccccc2OC(F)(F)F)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
KCNH2 Q12809 1/20 0.32
HCAR1 Q9BXC0 2/20 0.32
SCN9A Q15858 3/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL498288 0.85 SLC5A1 (0.33) KCNN4GABRG2GABRB3GABRA5KCNH2
SCHEMBL2770997 0.83 NR1H4 (0.33) HCAR1SCN9APDE2APDE10A
SCHEMBL497639 0.77 KCNN4 (0.40) KCNN4HCAR1SCN9A
SCHEMBL497775 0.77 NR1H4 (0.41) SCN9ARXRA
SCHEMBL27761420 0.75 NR1H4 (0.36) SCN9A
SCHEMBL498230 0.75 MBOAT4 (0.32)
SCHEMBL27761419 0.75 NR1H4 (0.38) KCNN4SCN9A
SCHEMBL3149710 0.70 NR1H4 (0.46) KCNH2RXRA
SCHEMBL2770816 0.69 POLB (0.33) HCAR1
SCHEMBL3165823 0.68 NR1H4 (0.51) RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 KCNN4 4516/4885GABRG2 1099/4885GABRB3 448/4885

“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.