SCHEMBL2302295

SCHEMBL2302295

Fc1ccc(OC2CCNCC2)cc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A3 Q01959 2/20 0.47
HRH1 P35367 2/20 0.45
IKBKB O14920 1/20 0.44
ROCK1 Q13464 4/20 0.42
ROCK2 O75116 1/20 0.42
PRKACA P17612 1/20 0.42
PRKCD Q05655 1/20 0.42
PRKG1 Q13976 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SCN9A Q15858 1/20 0.39

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
SCHEMBL3124331 0.89 HTR1A (0.50) HTR1ASLC6A2SLC6A3HRH1SLC6A4
SCHEMBL3121175 0.89 HRH1 (0.45) HTR1ASLC6A2SLC6A3HRH1IKBKB
SCHEMBL2301786 0.84 SLC6A4 (0.44) HTR1ASLC6A2SLC6A3HRH1IKBKB
SCHEMBL2302138 0.83 SCN9A (0.41) SCN9A
SCHEMBL12175734 0.82 SLC6A4 (0.44) HTR1ASLC6A2SLC6A3HRH1IKBKB
SCHEMBL12175733 0.80 HTR1A (0.47) HTR1ASLC6A2SLC6A3HRH1SLC6A4
SCHEMBL3130957 0.80 HTR2C (0.46) HTR1ASLC6A2SLC6A3HRH1SLC6A4
SCHEMBL1673897 0.80 HRH1 (0.59) HRH1IKBKBHRH3HTR2CPIM1
SCHEMBL716207 0.80 HRH1 (0.55) HTR1ASLC6A2SLC6A3HRH1IKBKB
SCHEMBL1229572 0.79 HRH1 (0.47) HTR1ASLC6A2SLC6A3HRH1IKBKB

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
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 HTR1A 391/4885SLC6A2 475/4885SLC6A3 1199/4885

“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.