SCHEMBL6551665

SCHEMBL6551665

C[C@H](NC=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 2/20 0.38
TACR1 P25103 5/20 0.37
MAPT P10636 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 2/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ACP1 P24666 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN13 Q12923 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
SCHEMBL5178541 1.00 XPO1 (0.38) XPO1TACR1MAPTGPBAR1ALDH1A1
SCHEMBL3256624 1.00 XPO1 (0.38) XPO1TACR1MAPTGPBAR1ALDH1A1
Hydrochloric Acid SCHEMBL4564391 0.98 XPO1 (0.37) XPO1TACR1MAPTGPBAR1ALDH1A1
SCHEMBL28230551 0.92 ACP1 (0.41) XPO1TACR1MAPTGPBAR1ALDH1A1
SCHEMBL28230552 0.92 ACP1 (0.41) XPO1TACR1MAPTGPBAR1ALDH1A1
SCHEMBL8204855 0.83 CES2 (0.48) CES2HTTKRASSOS1IDO1
SCHEMBL21986020 0.83 CES2 (0.48) CES2HTTKRASSOS1IDO1
SCHEMBL7159599 0.81 FFAR1 (0.39) MAPTALDH1A1HTTCYP2D6ACP1
SCHEMBL3154962 0.76 MAPT (0.40) XPO1TACR1MAPTGPBAR1ALDH1A1
SCHEMBL2365906 0.76 MAPT (0.40) XPO1TACR1MAPTGPBAR1ALDH1A1

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-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
EP-2729147-B1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION IRBM - SCIENCE PARK S P A (IT) 2017-09-06 EP disclosed
EP-2729147-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION Ferrari, Giulio (IT) 2014-05-14 EP disclosed
US-20140128395-A1 Novel Method IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 US disclosed
WO-2013004766-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION FERRARI GIULIO (IT) 2013-01-10 WO disclosed
EP-1472222-A1 PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
US-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists GLAXO GROUP LIMITED (GB) 2004-07-01 US disclosed
EP-1377558-A1 [1,4]-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
WO-2003066589-A1 PIPERIDYLCARBOXAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF TACHYKINIM-MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-08-14 WO disclosed
WO-2002081457-A1 `1,4!-DIAZEPANE-1-CARBOXYLIC ACID DERIVATIVES PROCESS FOR THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-10-17 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 (3 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-20040127485-A1 1,4! - diazepane -1- carboxylic acid derivatives process for their preparation and their use as tachykinin antagonists NPY1R, CRHR1, GRIN1 XPO1 1825/4885TACR1 24/4885MAPT 3460/4885
US-20140128395-A1 Novel Method BAK1, VIPR1, BDKRB1 XPO1 4174/4885TACR1 38/4885MAPT 4788/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 XPO1 4520/4885TACR1 119/4885MAPT 4670/4885

“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.