SCHEMBL860193

SCHEMBL860193

COCCN(C)c1ccc(C(C)N)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.33
PDE2A O00408 1/20 0.33
TACR1 P25103 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
BRAF P15056 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CASR P41180 2/20 0.31
CRHR1 P34998 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
DGAT1 O75907 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL840233 0.92 GPBAR1 (0.36) GPBAR1SLC6A2SLC6A4BRAFDGAT1
SCHEMBL13812978 0.80 GLA (0.43) GPBAR1SLC6A2SLC6A4BRAFCNR1
SCHEMBL3641864 0.76 PDE2A (0.35) PDE2ATACR1CASRAKR1C3AKR1C2
SCHEMBL860439 0.75 AR (0.40) CASR
SCHEMBL3051276 0.74 TRPV4 (0.40) SLC6A2SLC6A4
SCHEMBL840956 0.73 BRAF (0.42) GPBAR1BRAFAKR1C3AKR1C2
SCHEMBL13130519 0.73 HTR1D (0.38) BRAFHRH4CRHR1PDE3BPDE3A
SCHEMBL3058229 0.72 ALDH1A1 (0.45)
SCHEMBL167867 0.70 GPBAR1 (0.45) GPBAR1BRAFHRH4CRHR1DGAT1
Trifluoroacetic Acid SCHEMBL14631859 0.69 DPP4 (0.40) AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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 (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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI C5AR1 1099/4885GPBAR1 3856/4885PDE2A 393/4885

“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.