SCHEMBL6294985

SCHEMBL6294985

CC(C)(C)OC(=O)c1ccc(N)cc1Oc1ccc2cc(C#N)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.39
PDE4B Q07343 1/20 0.38
TBXA2R P21731 6/20 0.36
GPR119 Q8TDV5 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33

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
SCHEMBL6296004 0.91 SCN9A (0.40) SCN9APDE4BTBXA2RGPR119NCEH1
SCHEMBL6295767 0.87 SCN9A (0.42) SCN9ATBXA2R
SCHEMBL6294691 0.84 SCN9A (0.41) SCN9ATBXA2R
SCHEMBL6296053 0.83 AR (0.39) SCN9ATBXA2RALDH1A1
SCHEMBL6294719 0.83 PYGL (0.44) SCN9APDE4BTBXA2RALDH1A1PYGL
SCHEMBL6295761 0.81 PARP15 (0.42) SCN9ATBXA2RGPR119SCN8ASCN10A
SCHEMBL6294970 0.80 SCN9A (0.41) SCN9ATBXA2RNCEH1
SCHEMBL6294705 0.79 SCN9A (0.47) SCN9ATBXA2R
SCHEMBL6295804 0.79 ALDH1A1 (0.40) SCN9ATBXA2RALDH1A1
SCHEMBL6294685 0.79 EPAS1 (0.43) SCN9ATBXA2R

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-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP 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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 SCN9A 1786/4885PDE4B 3267/4885TBXA2R 10/4885

“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.