SCHEMBL662955

SCHEMBL662955

FC(F)(F)c1ccc(C(F)(F)F)c(CNC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
CYP26A1 O43174 1/20 0.39
SRD5A2 P31213 1/20 0.39
SCN9A Q15858 1/20 0.39
TEAD1 P28347 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES2 O00748 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PABPC1 P11940 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.36

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
SCHEMBL12335348 0.92 PABPC1 (0.47) FFAR1BCHEACHEBACE1KDM4E
SCHEMBL5271971 0.83 KDM4E (0.51) BCHEACHEBACE1KDM4ETDP1
SCHEMBL23545638 0.81 CYP1A2 (0.43) BCHEACHEBACE1KDM4ETDP1
SCHEMBL23545645 0.81 IDO1 (0.47) BCHEACHEBACE1KDM4ETDP1
SCHEMBL30471887 0.81 CYP1A2 (0.43) BCHEACHEBACE1KDM4ETDP1
SCHEMBL5560421 0.80 MRGPRX1 (0.51) KDM4EALDH1A1MRGPRX1
Hydrochloric Acid SCHEMBL30525083 0.79 IDO1 (0.50) BCHEACHEBACE1KDM4ETDP1
SCHEMBL19650831 0.79 PABPC1 (0.50) BCHEACHEBACE1KDM4ETDP1
SCHEMBL5325645 0.76 SLC6A4 (0.54) CYP26A1SRD5A2CYP2D6CES2CYP3A4
SCHEMBL23545676 0.76 MEN1 (0.51) KDM4ETDP1SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 FFAR1 1739/4885BCHE 1602/4885ACHE 2008/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT FFAR1 2264/4885BCHE 2004/4885ACHE 1733/4885

“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.