SCHEMBL2834680

SCHEMBL2834680

CNC(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.54
SCN3A Q9NY46 10/20 0.47
SCN9A Q15858 2/20 0.47
SCN1A P35498 1/20 0.47
SCN4A P35499 1/20 0.47
SCN7A Q01118 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN8A Q9UQD0 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
MAOB P27338 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37

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
SCHEMBL13320317 0.91 KCNH2 (0.49) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL483828 0.90 KCNH2 (0.53) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL2833097 0.90 KCNH2 (0.59) KCNH2SCN3ASCN9ASCN1ASCN4A
Hydrochloric Acid SCHEMBL2836765 0.89 KCNH2 (0.58) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL2830545 0.88 KCNH2 (0.47) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL2832206 0.86 KCNH2 (0.61) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL10167542 0.86 KCNH2 (0.61) KCNH2SCN3ASCN9ASCN1ASCN4A
Hydrochloric Acid SCHEMBL2831125 0.85 KCNH2 (0.60) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL2839844 0.81 KCNH2 (0.47) KCNH2SCN3ASCN9ASCN1ASCN4A
SCHEMBL14041366 0.81 KCNH2 (0.56) KCNH2SCN3ASCN9ASCN1ASCN4A

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-20100130583-A1 PROLINAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2010-05-27 US disclosed
US-20100130583-A1 PROLINAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2010-05-27 US disclosed
EP-2129655-A1 PROLINAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS Glaxo Group Limited (GB) 2009-12-09 EP disclosed
WO-2008122546-A1 PROLINAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2008-10-16 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-20100130583-A1 PROLINAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS SCN1A, SCN3A, SCN2A KCNH2 22/4885SCN3A 2/4885SCN9A 7/4885

“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.