SCHEMBL4899271

SCHEMBL4899271

CCNC(=O)c1ccc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
RXRA P19793 3/20 0.44
EPHX2 P34913 1/20 0.38
CCR2 P41597 4/20 0.37
SCN9A Q15858 1/20 0.36
PPARG P37231 1/20 0.36
MCHR1 Q99705 2/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
GFER P55789 1/20 0.35
BACE1 P56817 1/20 0.35
AOC3 Q16853 1/20 0.35
AR P10275 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4901910 0.94 RXRA (0.43) NR1H2NR1H3RXRACCR2
SCHEMBL4907807 0.91 NR1H2 (0.47) NR1H2NR1H3RXRAMCHR1GRIA2
SCHEMBL4906328 0.89 NR1H2 (0.46) NR1H2NR1H3RXRAMCHR1GRIA2
SCHEMBL4906529 0.87 NR1H2 (0.48) NR1H2NR1H3RXRAGRIA2GRIA4
SCHEMBL4904313 0.87 RXRA (0.42) NR1H2NR1H3RXRACCR2MCHR1
SCHEMBL4902385 0.87 RXRA (0.44) NR1H2NR1H3RXRACCR2
SCHEMBL4905525 0.86 NR1H2 (0.46) NR1H2NR1H3RXRAAR
SCHEMBL4905674 0.85 NR1H2 (0.45) NR1H2NR1H3RXRACCR2AR
SCHEMBL4897584 0.85 NR1H2 (0.45) NR1H2NR1H3RXRAAR
SCHEMBL4901856 0.85 NR1H2 (0.47) NR1H2NR1H3RXRAAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885

“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.