SCHEMBL80141

SCHEMBL80141

FC(F)(F)Oc1cccc(CCCBr)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
DAO P14920 1/20 0.51
CETP P11597 5/20 0.50
CNR1 P21554 1/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
MAPK14 Q16539 1/20 0.42
GLS O94925 1/20 0.41
SLC6A4 P31645 1/20 0.40
DRD4 P21917 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL30677435 0.90 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL3119286 0.90 CHRM2 (0.55) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL6222966 0.85 CHRM2 (0.54) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL1048391 0.83 CHRM2 (0.56) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2026450 0.83 CHRM2 (0.52) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL79435 0.83 CHRM2 (0.52) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL17288668 0.83 CHRM2 (0.52) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL12040546 0.83 PPARG (0.52) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL7946272 0.83 PPARA (0.56) CHRM2CHRM1CHRM3DAOCETP
SCHEMBL2091049 0.83 CHRM2 (0.52) CHRM2CHRM1CHRM3DAOCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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 (2 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS CHRM2 4544/4885CHRM1 4558/4885CHRM3 3852/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C CHRM2 190/4885CHRM1 478/4885CHRM3 287/4885

“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.