SCHEMBL498196

SCHEMBL498196

Cc1cc(C(C)(C)O)ccc1OCc1c(C(C)C)nnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.48
MRGPRX4 Q96LA9 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
RXRA P19793 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
GABRB3 P28472 2/20 0.32
CCNK O75909 1/20 0.32
CCND3 P30281 1/20 0.32
GSK3B P49841 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
NR1I2 O75469 2/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL498934 0.86 NR1H4 (0.55) NR1H4RXRAGRIN1GRIN2BGABRB3
SCHEMBL496925 0.83 NR1H4 (0.53) NR1H4MRGPRX4FFAR1FFAR4
SCHEMBL3168928 0.82 NR1H4 (0.53) NR1H4MRGPRX4RXRA
SCHEMBL3168908 0.82 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL498149 0.82 NR1H4 (0.56) NR1H4MRGPRX4CCNKCCND3GSK3B
SCHEMBL3159617 0.81 NR1H4 (0.47) NR1H4MRGPRX4FFAR1FFAR4
SCHEMBL3164122 0.81 NR1H4 (0.57) NR1H4MRGPRX4RXRA
SCHEMBL3164073 0.80 NR1H4 (0.46) NR1H4MRGPRX4FFAR1FFAR4
SCHEMBL3168943 0.76 NR1H4 (0.56) NR1H4MRGPRX4
SCHEMBL3168921 0.75 NR1H4 (0.55) NR1H4MRGPRX4

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-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

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 NR1H4 1/4885MRGPRX4 268/4885NR1H2 6/4885

“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.