SCHEMBL3220098

SCHEMBL3220098

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.65
MIF P14174 1/20 0.65
HTR2A P28223 1/20 0.65
ADRA1A P35348 1/20 0.65
HTR2B P41595 1/20 0.65
KDM4E B2RXH2 6/20 0.59
LMNA P02545 4/20 0.59
HIF1A Q16665 3/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2C P18825 1/20 0.59
ALDH1A1 P00352 1/20 0.57
RECQL P46063 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 3/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL23619060 1.00 ADRB1 (0.65) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL9667227 0.86 CES2 (0.50) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15050759 0.84 CES2 (0.49) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15050757 0.84 CES2 (0.49) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15050756 0.84 CES2 (0.49) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL11603896 0.83 CES2 (0.55) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15050696 0.82 CES2 (0.47) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15050697 0.82 CES2 (0.47) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15050699 0.82 CES2 (0.47) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL835071 0.81 ADRB1 (0.44) ADRB1MIFHTR2AADRA1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114158-B1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMA INC (US) 2012-08-08 EP disclosed
US-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2010-02-18 US disclosed
EP-2114158-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-11-11 EP disclosed
WO-2008085505-A1 3-SUBSTITUTED-[1,2,3]BENZOTRIAZINONE COMPOUNDS FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2008-07-17 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 (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-20100041647-A1 3-Substituted-[1,2,3]-Benzotriazinone compounds for enhancing glutamatergic synaptic responses GRIN1, GRIN3B, GABRE ADRB1 342/4885MIF 3853/4885HTR2A 145/4885

“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.