SCHEMBL18014784

SCHEMBL18014784

Cc1cc(F)c(COc2ncccc2CC(C)(C)C)cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.37
HTR2C P28335 5/20 0.37
SLC6A4 P31645 5/20 0.37
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
HTR6 P50406 1/20 0.33
NMT1 P30419 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
NAAA Q02083 1/20 0.31
CARM1 Q86X55 1/20 0.31
LMNA P02545 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
SCHEMBL18015856 0.85 P2RY1 (0.39) HTR2AHTR2CSLC6A4RXRAGRIN1
SCHEMBL18014793 0.80 IDO1 (0.47) RXRAGRIN1GRIN2BHTR6
SCHEMBL14995961 0.73 DPP4 (0.37) HTR2AHTR2C
SCHEMBL12776096 0.73 SLC13A5 (0.48) MEN1KMT2ALMNA
SCHEMBL18014775 0.72 MAOB (0.46) KMT2A
SCHEMBL23344679 0.72 SCN9A (0.41)
SCHEMBL12776098 0.71 SLC13A5 (0.47) HTR2AHTR2CGRIN1GRIN2BMEN1
SCHEMBL18014772 0.71 ALK (0.38) HTR2AHTR2CALOX5APFEN1CARM1
SCHEMBL23286656 0.69 NPC1 (0.45) HTR2AHTR2CSLC6A4LMNA
SCHEMBL23286935 0.68 HTR2C (0.43) HTR2AHTR2CSLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 HTR2A 663/4885HTR2C 772/4885SLC6A4 4054/4885

“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.