SCHEMBL4654950

SCHEMBL4654950

CCc1cnc(N(CCCCO)c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
ABL1 P00519 6/20 0.35
HRH3 Q9Y5N1 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
MLYCD O95822 1/20 0.34
HCRTR2 O43614 1/20 0.34
DHODH Q02127 1/20 0.33
CRHR1 P34998 1/20 0.33
SERPINE1 P05121 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
VNN1 O95497 1/20 0.33

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
SCHEMBL4655981 0.84 RXRA (0.38) RXRAGRIN1GRIN2BABL1HRH3
SCHEMBL14411905 0.82 RXRA (0.37) RXRAGRIN1GRIN2BPRMT6DHODH
SCHEMBL4655950 0.79 LMNA (0.39) RXRAGRIN1GRIN2BABL1PRMT6
SCHEMBL4655050 0.70 RXRA (0.31) RXRAGRIN1GRIN2B
SCHEMBL14006357 0.68 PRMT6 (0.47) RXRAGRIN1GRIN2BPRMT6
SCHEMBL9062115 0.68 RXRA (0.48) RXRAGRIN1GRIN2BPRMT6
SCHEMBL4575060 0.68 BCHE (0.43) RXRAGRIN1GRIN2BPRMT6NR1H2
SCHEMBL9062321 0.67 RXRA (0.47) RXRAGRIN1GRIN2BPRMT6
SCHEMBL5537171 0.66 SLC6A4 (0.41) ABL1L3MBTL1HCRTR2SERPINE1
SCHEMBL4655009 0.66 LMNA (0.38) RXRAGRIN1GRIN2BPRMT6VNN1

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
EP-1996198-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2008-12-03 EP disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 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-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR PPARG, PPARA, PPARD RXRA 20/4885GRIN1 1336/4885GRIN2B 1506/4885

“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.