SCHEMBL2299199

SCHEMBL2299199

FC(F)(F)Oc1ccccc1OC1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE10A Q9Y233 1/20 0.41
EPHX2 P34913 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2J2 P51589 2/20 0.40
HTR1A P08908 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
SLC6A4 P31645 2/20 0.37
SCN9A Q15858 1/20 0.37
TRPA1 O75762 1/20 0.37
SCD O00767 2/20 0.36
HSD11B1 P28845 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
HRH1 P35367 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
SCHEMBL2301366 0.83 PDE3B (0.40) PDE3BPDE3APDE10AEPHX2CYP2C9
SCHEMBL646216 0.80 EPHX2 (0.41) PDE3BPDE3APDE10AEPHX2CYP2C9
SCHEMBL649698 0.80 EPHX2 (0.41) PDE3BPDE3APDE10AEPHX2CYP2C9
SCHEMBL3118290 0.80 SCD (0.53) SCD
SCHEMBL2301736 0.80 SLC6A2 (0.60) HTR1ASLC6A2SLC6A3SLC6A4HRH1
Hydrochloric Acid SCHEMBL4100525 0.79 SLC6A2 (0.59) HTR1ASLC6A2SLC6A3SLC6A4HRH1
SCHEMBL14957027 0.77 SLC6A2 (0.60) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL2093016 0.77 CA12 (0.48) PDE10AEPHX2HTR1ASLC6A2ADRA2A
SCHEMBL2298389 0.77 SLC6A2 (0.53) HTR1ASLC6A2SLC6A3ADRA2AADRA2B
SCHEMBL2093417 0.76 DDB1 (0.50) EPHX2CYP2C9CYP2J2SCDDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 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 (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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I PDE3B 894/4885PDE3A 914/4885PDE10A 400/4885

“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.