SCHEMBL2298389

SCHEMBL2298389

Fc1ccccc1OC1CC[N]CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.53
HTR1A P08908 9/20 0.53
SLC6A3 Q01959 5/20 0.53
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
SLC6A4 P31645 2/20 0.42
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
HTR2C P28335 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL29966 0.86 SLC6A2 (0.61) SLC6A2HTR1ASLC6A3FPR2PROKR1
SCHEMBL3125975 0.86 SLC6A2 (0.60) SLC6A2HTR1ASLC6A3SLC6A4GRIN1
SCHEMBL17123797 0.82 SLC6A2 (0.57) SLC6A2HTR1ASLC6A3FPR2PROKR1
SCHEMBL3115490 0.82 GPR6 (0.41) GRIN1GRIN2B
SCHEMBL9538522 0.81 SLC6A2 (0.56) SLC6A2HTR1ASLC6A3FPR2PROKR1
SCHEMBL2300625 0.81 SLC6A2 (0.50) SLC6A2HTR1ASLC6A3FPR2PROKR1
SCHEMBL3118359 0.79 SLC6A2 (0.46) SLC6A2HTR1ASLC6A3SLC6A4GRIN1
SCHEMBL234010 0.78 SLC6A2 (0.81) SLC6A2HTR1ASLC6A3SLC6A4HTR2C
SCHEMBL16571016 0.78 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3FPR2PROKR1
SCHEMBL18186077 0.78 SLC6A2 (0.53) SLC6A2HTR1ASLC6A3FPR2PROKR1

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
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
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 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 SLC6A2 475/4885HTR1A 391/4885SLC6A3 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.