SCHEMBL1844696

SCHEMBL1844696

COC(=O)Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(N(CCC(C)C)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
MCHR1 Q99705 4/20 0.37
LMNA P02545 2/20 0.37
PPARD Q03181 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CSGALNACT1 Q8TDX6 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GCGR P47871 3/20 0.35
GIPR P48546 3/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1844250 0.93 ADORA3 (0.38) PTGESADORA3MCHR1LMNAPPARD
SCHEMBL1845327 0.89 PSEN1 (0.42) PTGESADORA3MCHR1PPARDPPARG
SCHEMBL1843583 0.86 PSEN1 (0.39) PTGESPPARDPPARGPPARAPSEN1
SCHEMBL27819792 0.85 ADORA3 (0.38) PTGESADORA3MCHR1PPARDPPARG
SCHEMBL1847657 0.81 ADORA3 (0.50) PTGESADORA3LMNAPPARDTP53
SCHEMBL1844715 0.79 PSEN1 (0.57) ADORA3MCHR1PPARDPPARGPPARA
SCHEMBL27839264 0.78 ADORA3 (0.39) PTGESADORA3MCHR1PPARDPPARA
SCHEMBL1843439 0.78 LMNA (0.47) PTGESADORA3LMNAPPARDTP53
SCHEMBL1841633 0.77 L3MBTL1 (0.54) ADORA3LMNAPPARDTP53SMN1; SMN2
SCHEMBL1845846 0.77 ADORA3 (0.46) PTGESADORA3LMNAPPARDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
EP-2321278-A2 PYRIDINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2011-05-18 EP disclosed
WO-2010011626-A2 PYRIDINYL MODULATORS OF ϒ-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-28 WO disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 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-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 PTGES 1431/4885ADORA3 126/4885MCHR1 3799/4885

“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.