SCHEMBL2299204

SCHEMBL2299204

N#Cc1ccc(C2CCNCC2)cc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
CHEK1 O14757 3/20 0.44
QDPR P09417 1/20 0.41
SCN9A Q15858 1/20 0.41
TBK1 Q9UHD2 2/20 0.39
IKBKE Q14164 1/20 0.39
P2RY14 Q15391 1/20 0.38
HTR2A P28223 1/20 0.37
PTK2 Q05397 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2300320 0.84 SCN9A (0.45) CHEK1SCN9A
SCHEMBL4175149 0.82 CHEK1 (0.53) HTR2CCHEK1QDPRTBK1IKBKE
Hydrochloric Acid SCHEMBL4182890 0.81 CHEK1 (0.53) HTR2CCHEK1QDPRTBK1IKBKE
SCHEMBL23858132 0.79 HTR2C (0.50) HTR2CQDPRHTR2ATLR9TLR8
SCHEMBL31342061 0.79 HTR2C (0.47) HTR2CQDPRHTR2A
SCHEMBL30011155 0.79 HTR2C (0.50) HTR2CQDPRHTR2ATLR9TLR8
SCHEMBL13875680 0.77 HTR2C (0.49) HTR2CQDPR
SCHEMBL4172661 0.77 CHEK1 (0.51) HTR2CCHEK1QDPRTLR9TLR8
SCHEMBL18965742 0.76 HTR2C (0.47) HTR2CQDPRHTR2ATLR9TLR8
Hydrochloric Acid SCHEMBL4176934 0.76 CHEK1 (0.50) HTR2CCHEK1QDPRTLR9TLR8

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
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

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 HTR2C 379/4885CHEK1 4500/4885QDPR 631/4885

“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.