SCHEMBL2297804

SCHEMBL2297804

N#Cc1ccccc1OC1C[N]C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PDE10A Q9Y233 1/20 0.40
EPHX2 P34913 1/20 0.40
GPR6 P46095 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL3117962 0.84 KDM4E (0.40) POLBGAAPDE10AEPHX2GPR6
SCHEMBL3121941 0.84 KDM4E (0.40) POLBGAAPDE10AEPHX2GPR6
SCHEMBL30505244 0.83 EPHX2 (0.44) POLBGAAPDE10AEPHX2GPR6
SCHEMBL23761235 0.83 EPHX2 (0.44) POLBGAAPDE10AEPHX2GPR6
SCHEMBL3128288 0.83 GPR6 (0.42) POLBGAAPDE10AEPHX2GPR6
Hydrochloric Acid SCHEMBL25401967 0.81 EPHX2 (0.44) POLBGAAPDE10AEPHX2GPR6
SCHEMBL6530291 0.80 KDM4E (0.50) POLBGAAEPHX2GPR6KDM4E
SCHEMBL29844280 0.80 KDM4E (0.47) POLBGAAPDE10AEPHX2GPR6
SCHEMBL17202505 0.79 POLB (0.41) POLBGAAPDE10AEPHX2GPR6
SCHEMBL19527606 0.77 GAA (0.40) POLBGAAPDE10AEPHX2GPR6

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 POLB 4292/4885GAA 3193/4885PDE10A 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.