SCHEMBL840852

SCHEMBL840852

CC(N)c1cccc(C(F)(F)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
PNMT P11086 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KIF11 P52732 2/20 0.39
TACR1 P25103 1/20 0.38
DAO P14920 1/20 0.37
PTPN5 P54829 1/20 0.36
CES2 O00748 1/20 0.35
ACP3 P15309 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
EPHX1 P07099 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
SCHEMBL861038 1.00 PDE2A (0.46) PDE2AHTR2AHTR2CHTR2BPNMT
SCHEMBL40102 0.85 HTR2A (0.58) PDE2AHTR2AHTR2CHTR2BPNMT
SCHEMBL20738170 0.85 PTPN5 (0.47) HTR2AHTR2CHTR2BPNMTIDO1
SCHEMBL334964 0.85 HTR2A (0.58) PDE2AHTR2AHTR2CHTR2BPNMT
SCHEMBL1728826 0.85 HTR2A (0.58) PDE2AHTR2AHTR2CHTR2BPNMT
SCHEMBL29504910 0.85 HTR2A (0.58) PDE2AHTR2AHTR2CHTR2BPNMT
SCHEMBL23590859 0.84 PDE2A (0.42) PDE2AHTR2AHTR2CHTR2BPNMT
SCHEMBL29699731 0.84 PDE2A (0.42) PDE2AHTR2AHTR2CHTR2BPNMT
Hydrochloric Acid SCHEMBL14121095 0.83 HTR2A (0.56) PDE2AHTR2AHTR2CHTR2BPNMT
Methane SCHEMBL8899008 0.83 HTR2A (0.56) PDE2AHTR2AHTR2CHTR2BPNMT

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 5 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-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 PDE2A 393/4885HTR2A 4571/4885HTR2C 4841/4885

“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.