SCHEMBL2299147

SCHEMBL2299147

COc1ccc(OC2C[N]C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TDP1 Q9NUW8 4/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 1/20 0.43
ACHE P22303 1/20 0.41
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
KDM1A O60341 2/20 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
SCHEMBL3125920 0.83 ACHE (0.41) CA1CA2CA9TDP1MAPT
SCHEMBL2302113 0.80 SLC6A2 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL16838744 0.79 SMN1; SMN2 (0.56) CA1CA2CA7CA9CA12
SCHEMBL2094567 0.79 SMN1; SMN2 (0.49) CA1CA2CA7CA9CA12
SCHEMBL2302199 0.78 EPHX2 (0.41) KDM4EMEN1KMT2A
SCHEMBL2302743 0.78 SLC6A4 (0.52) MAPTMEN1KMT2ARAB9AMAOA
SCHEMBL2298535 0.78 KMT2A (0.40) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL2301256 0.77 HRH1 (0.52) GAA
SCHEMBL1071370 0.76 MAPT (0.53) CA1CA2CA7CA9CA12
SCHEMBL2298560 0.75 TP53 (0.40) MAPTALDH1A1MEN1KMT2ARAB9A

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 CA1 1646/4885CA2 289/4885CA7 1423/4885

“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.